data_30493 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30493 _Entry.Title ; Solution NMR Structure of the Colied-coil PALB2 Homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-17 _Entry.Accession_date 2018-07-17 _Entry.Last_release_date 2018-08-15 _Entry.Original_release_date 2018-08-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30493 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. Song F. . . . 30493 2 M. Li M. . . . 30493 3 G. Liu G. . . . 30493 4 G. Swapna G. V.T. . . 30493 5 B. Xia B. . . . 30493 6 S. Bunting S. F. . . 30493 7 G. Montelione G. T. . . 30493 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Antiparallel Coiled coil' . 30493 'DNA Damage Repair' . 30493 'Homologous recombination' . 30493 ONCOPROTEIN . 30493 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30493 spectral_peak_list 4 30493 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 211 30493 '15N chemical shifts' 59 30493 '1H chemical shifts' 426 30493 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 . . 2019-05-16 2018-07-17 update BMRB 'update entry citation' 30493 1 . . 2018-10-08 2018-07-17 original author 'original release' 30493 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27534 'time-domain data' 30493 PDB 6E4H . 30493 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30493 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30289697 _Citation.Full_citation . _Citation.Title ; Antiparallel Coiled-Coil Interactions Mediate Homodimerization of the DNA Damage Repair Protein, PALB2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 47 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6581 _Citation.Page_last 6591 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Song F. . . . 30493 1 2 M. Li M. . . . 30493 1 3 G. Liu G. . . . 30493 1 4 G. Swapna G. V.T. . . 30493 1 5 N. Daigham N. S. . . 30493 1 6 B. Xia B. . . . 30493 1 7 G. Montelione G. T. . . 30493 1 8 S. Bunting S. F. . . 30493 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30493 _Assembly.ID 1 _Assembly.Name 'Partner and localizer of BRCA2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 30493 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 30493 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30493 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEELSGKPLSYAEKEKLKEK LAFLKKEYSRTLARLQRAKR AEKAKNSKKAIEDGVPQPEA LEHHHHHH ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-60' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7948.166 _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 . MET . 30493 1 2 . GLU . 30493 1 3 . GLU . 30493 1 4 . LEU . 30493 1 5 . SER . 30493 1 6 . GLY . 30493 1 7 . LYS . 30493 1 8 . PRO . 30493 1 9 . LEU . 30493 1 10 . SER . 30493 1 11 . TYR . 30493 1 12 . ALA . 30493 1 13 . GLU . 30493 1 14 . LYS . 30493 1 15 . GLU . 30493 1 16 . LYS . 30493 1 17 . LEU . 30493 1 18 . LYS . 30493 1 19 . GLU . 30493 1 20 . LYS . 30493 1 21 . LEU . 30493 1 22 . ALA . 30493 1 23 . PHE . 30493 1 24 . LEU . 30493 1 25 . LYS . 30493 1 26 . LYS . 30493 1 27 . GLU . 30493 1 28 . TYR . 30493 1 29 . SER . 30493 1 30 . ARG . 30493 1 31 . THR . 30493 1 32 . LEU . 30493 1 33 . ALA . 30493 1 34 . ARG . 30493 1 35 . LEU . 30493 1 36 . GLN . 30493 1 37 . ARG . 30493 1 38 . ALA . 30493 1 39 . LYS . 30493 1 40 . ARG . 30493 1 41 . ALA . 30493 1 42 . GLU . 30493 1 43 . LYS . 30493 1 44 . ALA . 30493 1 45 . LYS . 30493 1 46 . ASN . 30493 1 47 . SER . 30493 1 48 . LYS . 30493 1 49 . LYS . 30493 1 50 . ALA . 30493 1 51 . ILE . 30493 1 52 . GLU . 30493 1 53 . ASP . 30493 1 54 . GLY . 30493 1 55 . VAL . 30493 1 56 . PRO . 30493 1 57 . GLN . 30493 1 58 . PRO . 30493 1 59 . GLU . 30493 1 60 . ALA . 30493 1 61 . LEU . 30493 1 62 . GLU . 30493 1 63 . HIS . 30493 1 64 . HIS . 30493 1 65 . HIS . 30493 1 66 . HIS . 30493 1 67 . HIS . 30493 1 68 . HIS . 30493 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 . MET 1 1 30493 1 . GLU 2 2 30493 1 . GLU 3 3 30493 1 . LEU 4 4 30493 1 . SER 5 5 30493 1 . GLY 6 6 30493 1 . LYS 7 7 30493 1 . PRO 8 8 30493 1 . LEU 9 9 30493 1 . SER 10 10 30493 1 . TYR 11 11 30493 1 . ALA 12 12 30493 1 . GLU 13 13 30493 1 . LYS 14 14 30493 1 . GLU 15 15 30493 1 . LYS 16 16 30493 1 . LEU 17 17 30493 1 . LYS 18 18 30493 1 . GLU 19 19 30493 1 . LYS 20 20 30493 1 . LEU 21 21 30493 1 . ALA 22 22 30493 1 . PHE 23 23 30493 1 . LEU 24 24 30493 1 . LYS 25 25 30493 1 . LYS 26 26 30493 1 . GLU 27 27 30493 1 . TYR 28 28 30493 1 . SER 29 29 30493 1 . ARG 30 30 30493 1 . THR 31 31 30493 1 . LEU 32 32 30493 1 . ALA 33 33 30493 1 . ARG 34 34 30493 1 . LEU 35 35 30493 1 . GLN 36 36 30493 1 . ARG 37 37 30493 1 . ALA 38 38 30493 1 . LYS 39 39 30493 1 . ARG 40 40 30493 1 . ALA 41 41 30493 1 . GLU 42 42 30493 1 . LYS 43 43 30493 1 . ALA 44 44 30493 1 . LYS 45 45 30493 1 . ASN 46 46 30493 1 . SER 47 47 30493 1 . LYS 48 48 30493 1 . LYS 49 49 30493 1 . ALA 50 50 30493 1 . ILE 51 51 30493 1 . GLU 52 52 30493 1 . ASP 53 53 30493 1 . GLY 54 54 30493 1 . VAL 55 55 30493 1 . PRO 56 56 30493 1 . GLN 57 57 30493 1 . PRO 58 58 30493 1 . GLU 59 59 30493 1 . ALA 60 60 30493 1 . LEU 61 61 30493 1 . GLU 62 62 30493 1 . HIS 63 63 30493 1 . HIS 64 64 30493 1 . HIS 65 65 30493 1 . HIS 66 66 30493 1 . HIS 67 67 30493 1 . HIS 68 68 30493 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 30493 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Palb2 . 30493 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 30493 _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 . . . . . . . . . . 30493 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30493 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2 mM [U-100% 13C; U-100% 15N] PALB2cc, 20 mM MES, 200 mM sodium chloride, 5 mM Calcium Chloride, 10 mM DTT, 10 % DSS, 0.02 % sodium azide, 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 PALB2cc '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30493 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30493 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30493 1 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30493 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30493 1 6 DSS 'natural abundance' . . . . . . 10 . . % . . . . 30493 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 30493 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30493 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 v/v [U-100% 13C; U-100% 15N] PALB2cc, 2 v/v unlabeled PALB2cc, 20 mM MES, 200 mM sodium chloride, 5 mM Calcium Chloride, 10 mM DTT, 0.02 % sodium azide, 10 % DSS, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PALB2cc '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . v/v . . . . 30493 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 30493 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30493 2 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30493 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30493 2 6 DSS 'natural abundance' . . . . . . 10 . . % . . . . 30493 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 30493 2 8 'unlabeled PALB2cc' 'natural abundance' . . . . . . 2 . . v/v . . . . 30493 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30493 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 30493 1 pH 6.5 . pH 30493 1 pressure 1 . atm 30493 1 temperature 298 . K 30493 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30493 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30493 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30493 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30493 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30493 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30493 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30493 _Software.ID 3 _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' . . 30493 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30493 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30493 _Software.ID 4 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30493 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30493 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30493 _Software.ID 5 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 30493 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30493 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30493 _Software.ID 6 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30493 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30493 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30493 _Software.ID 7 _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' . . 30493 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30493 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30493 _Software.ID 8 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30493 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30493 8 stop_ save_ save_software_9 _Software.Sf_category software _Software.Sf_framecode software_9 _Software.Entry_ID 30493 _Software.ID 9 _Software.Type . _Software.Name AVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Moseley and Montelione' . . 30493 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30493 9 stop_ save_ save_software_10 _Software.Sf_category software _Software.Sf_framecode software_10 _Software.Entry_ID 30493 _Software.ID 10 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30493 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30493 10 stop_ save_ save_software_11 _Software.Sf_category software _Software.Sf_framecode software_11 _Software.Entry_ID 30493 _Software.ID 11 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30493 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30493 11 stop_ save_ save_software_12 _Software.Sf_category software _Software.Sf_framecode software_12 _Software.Entry_ID 30493 _Software.ID 12 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30493 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30493 12 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 30493 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30493 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 30493 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 30493 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 3 '3D TROSY-HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 4 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 5 '3D TROSY-HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 6 '3D TROSY-HBHACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 7 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 9 'AROMATIC CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 12 '3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 14 'X-filtered noesy (pulse sequence: noesyhsqcgpwgx13d)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 1 15 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30493 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 30493 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30493 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30493 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30493 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 30493 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D TROSY-HSQC' . . . 30493 1 2 '2D 1H-13C HSQC aliphatic' . . . 30493 1 3 '3D TROSY-HNCOCA' . . . 30493 1 4 '3D TROSY-HNCA' . . . 30493 1 5 '3D TROSY-HNCOCACB' . . . 30493 1 6 '3D TROSY-HBHACONH' . . . 30493 1 7 '3D TROSY-HNCACB' . . . 30493 1 8 '3D HCCH-TOCSY' . . . 30493 1 9 'AROMATIC CCH-TOCSY' . . . 30493 1 10 '3D CCH-TOCSY' . . . 30493 1 11 '3D 1H-13C NOESY' . . . 30493 1 12 '3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 30493 1 13 '3D 1H-13C NOESY aromatic' . . . 30493 1 14 'X-filtered noesy (pulse sequence: noesyhsqcgpwgx13d)' . . . 30493 1 15 '3D TROSY-HNCO' . . . 30493 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU H H 1 8.357 0.020 . 1 . . . . A 2 GLU H . 30493 1 2 . 1 1 2 2 GLU HA H 1 4.405 0.020 . 1 . . . . A 2 GLU HA . 30493 1 3 . 1 1 2 2 GLU CA C 13 56.699 0.400 . 1 . . . . A 2 GLU CA . 30493 1 4 . 1 1 2 2 GLU N N 15 120.606 0.400 . 1 . . . . A 2 GLU N . 30493 1 5 . 1 1 3 3 GLU H H 1 8.872 0.020 . 1 . . . . A 3 GLU H . 30493 1 6 . 1 1 3 3 GLU HA H 1 4.732 0.020 . 1 . . . . A 3 GLU HA . 30493 1 7 . 1 1 3 3 GLU HB2 H 1 2.159 0.020 . 2 . . . . A 3 GLU HB2 . 30493 1 8 . 1 1 3 3 GLU HB3 H 1 2.054 0.020 . 2 . . . . A 3 GLU HB3 . 30493 1 9 . 1 1 3 3 GLU HG2 H 1 2.388 0.020 . 2 . . . . A 3 GLU HG2 . 30493 1 10 . 1 1 3 3 GLU HG3 H 1 2.383 0.020 . 2 . . . . A 3 GLU HG3 . 30493 1 11 . 1 1 3 3 GLU CA C 13 56.710 0.400 . 1 . . . . A 3 GLU CA . 30493 1 12 . 1 1 3 3 GLU CB C 13 30.623 0.400 . 1 . . . . A 3 GLU CB . 30493 1 13 . 1 1 3 3 GLU CG C 13 36.516 0.400 . 1 . . . . A 3 GLU CG . 30493 1 14 . 1 1 3 3 GLU N N 15 124.200 0.400 . 1 . . . . A 3 GLU N . 30493 1 15 . 1 1 4 4 LEU H H 1 8.630 0.020 . 1 . . . . A 4 LEU H . 30493 1 16 . 1 1 4 4 LEU HA H 1 4.499 0.020 . 1 . . . . A 4 LEU HA . 30493 1 17 . 1 1 4 4 LEU HB2 H 1 1.804 0.020 . 2 . . . . A 4 LEU HB2 . 30493 1 18 . 1 1 4 4 LEU HB3 H 1 1.714 0.020 . 2 . . . . A 4 LEU HB3 . 30493 1 19 . 1 1 4 4 LEU HG H 1 1.759 0.020 . 1 . . . . A 4 LEU HG . 30493 1 20 . 1 1 4 4 LEU HD11 H 1 1.046 0.020 . 2 . . . . A 4 LEU HD11 . 30493 1 21 . 1 1 4 4 LEU HD12 H 1 1.046 0.020 . 2 . . . . A 4 LEU HD12 . 30493 1 22 . 1 1 4 4 LEU HD13 H 1 1.046 0.020 . 2 . . . . A 4 LEU HD13 . 30493 1 23 . 1 1 4 4 LEU HD21 H 1 0.986 0.020 . 2 . . . . A 4 LEU HD21 . 30493 1 24 . 1 1 4 4 LEU HD22 H 1 0.986 0.020 . 2 . . . . A 4 LEU HD22 . 30493 1 25 . 1 1 4 4 LEU HD23 H 1 0.986 0.020 . 2 . . . . A 4 LEU HD23 . 30493 1 26 . 1 1 4 4 LEU CA C 13 55.535 0.400 . 1 . . . . A 4 LEU CA . 30493 1 27 . 1 1 4 4 LEU CB C 13 42.328 0.400 . 1 . . . . A 4 LEU CB . 30493 1 28 . 1 1 4 4 LEU CG C 13 27.169 0.400 . 1 . . . . A 4 LEU CG . 30493 1 29 . 1 1 4 4 LEU CD1 C 13 25.237 0.400 . 1 . . . . A 4 LEU CD1 . 30493 1 30 . 1 1 4 4 LEU CD2 C 13 23.496 0.400 . 1 . . . . A 4 LEU CD2 . 30493 1 31 . 1 1 4 4 LEU N N 15 124.781 0.400 . 1 . . . . A 4 LEU N . 30493 1 32 . 1 1 5 5 SER H H 1 8.505 0.020 . 1 . . . . A 5 SER H . 30493 1 33 . 1 1 5 5 SER HA H 1 4.524 0.020 . 1 . . . . A 5 SER HA . 30493 1 34 . 1 1 5 5 SER HB2 H 1 4.021 0.020 . 2 . . . . A 5 SER HB2 . 30493 1 35 . 1 1 5 5 SER HB3 H 1 3.993 0.020 . 2 . . . . A 5 SER HB3 . 30493 1 36 . 1 1 5 5 SER CA C 13 58.824 0.400 . 1 . . . . A 5 SER CA . 30493 1 37 . 1 1 5 5 SER CB C 13 64.108 0.400 . 1 . . . . A 5 SER CB . 30493 1 38 . 1 1 5 5 SER N N 15 117.036 0.400 . 1 . . . . A 5 SER N . 30493 1 39 . 1 1 6 6 GLY H H 1 8.573 0.020 . 1 . . . . A 6 GLY H . 30493 1 40 . 1 1 6 6 GLY HA2 H 1 4.139 0.020 . 2 . . . . A 6 GLY HA2 . 30493 1 41 . 1 1 6 6 GLY HA3 H 1 4.021 0.020 . 2 . . . . A 6 GLY HA3 . 30493 1 42 . 1 1 6 6 GLY CA C 13 45.294 0.400 . 1 . . . . A 6 GLY CA . 30493 1 43 . 1 1 6 6 GLY N N 15 111.393 0.400 . 1 . . . . A 6 GLY N . 30493 1 44 . 1 1 7 7 LYS H H 1 8.149 0.020 . 1 . . . . A 7 LYS H . 30493 1 45 . 1 1 7 7 LYS HA H 1 4.737 0.020 . 1 . . . . A 7 LYS HA . 30493 1 46 . 1 1 7 7 LYS HB2 H 1 1.932 0.020 . 2 . . . . A 7 LYS HB2 . 30493 1 47 . 1 1 7 7 LYS HB3 H 1 1.843 0.020 . 2 . . . . A 7 LYS HB3 . 30493 1 48 . 1 1 7 7 LYS HG2 H 1 1.602 0.020 . 2 . . . . A 7 LYS HG2 . 30493 1 49 . 1 1 7 7 LYS HG3 H 1 1.600 0.020 . 2 . . . . A 7 LYS HG3 . 30493 1 50 . 1 1 7 7 LYS HD2 H 1 1.815 0.020 . 2 . . . . A 7 LYS HD2 . 30493 1 51 . 1 1 7 7 LYS HD3 H 1 1.808 0.020 . 2 . . . . A 7 LYS HD3 . 30493 1 52 . 1 1 7 7 LYS HE2 H 1 3.135 0.020 . 2 . . . . A 7 LYS HE2 . 30493 1 53 . 1 1 7 7 LYS HE3 H 1 3.138 0.020 . 2 . . . . A 7 LYS HE3 . 30493 1 54 . 1 1 7 7 LYS CA C 13 54.524 0.400 . 1 . . . . A 7 LYS CA . 30493 1 55 . 1 1 7 7 LYS CB C 13 32.781 0.400 . 1 . . . . A 7 LYS CB . 30493 1 56 . 1 1 7 7 LYS CG C 13 24.878 0.400 . 1 . . . . A 7 LYS CG . 30493 1 57 . 1 1 7 7 LYS CD C 13 29.445 0.400 . 1 . . . . A 7 LYS CD . 30493 1 58 . 1 1 7 7 LYS CE C 13 42.294 0.400 . 1 . . . . A 7 LYS CE . 30493 1 59 . 1 1 7 7 LYS N N 15 122.737 0.400 . 1 . . . . A 7 LYS N . 30493 1 60 . 1 1 8 8 PRO HA H 1 4.577 0.020 . 1 . . . . A 8 PRO HA . 30493 1 61 . 1 1 8 8 PRO HB2 H 1 2.399 0.020 . 2 . . . . A 8 PRO HB2 . 30493 1 62 . 1 1 8 8 PRO HB3 H 1 2.002 0.020 . 2 . . . . A 8 PRO HB3 . 30493 1 63 . 1 1 8 8 PRO HG2 H 1 2.166 0.020 . 2 . . . . A 8 PRO HG2 . 30493 1 64 . 1 1 8 8 PRO HG3 H 1 2.098 0.020 . 2 . . . . A 8 PRO HG3 . 30493 1 65 . 1 1 8 8 PRO HD2 H 1 3.980 0.020 . 2 . . . . A 8 PRO HD2 . 30493 1 66 . 1 1 8 8 PRO HD3 H 1 3.761 0.020 . 2 . . . . A 8 PRO HD3 . 30493 1 67 . 1 1 8 8 PRO CA C 13 63.217 0.400 . 1 . . . . A 8 PRO CA . 30493 1 68 . 1 1 8 8 PRO CB C 13 32.321 0.400 . 1 . . . . A 8 PRO CB . 30493 1 69 . 1 1 8 8 PRO CG C 13 27.600 0.400 . 1 . . . . A 8 PRO CG . 30493 1 70 . 1 1 8 8 PRO CD C 13 51.038 0.400 . 1 . . . . A 8 PRO CD . 30493 1 71 . 1 1 9 9 LEU H H 1 8.685 0.020 . 1 . . . . A 9 LEU H . 30493 1 72 . 1 1 9 9 LEU HA H 1 4.627 0.020 . 1 . . . . A 9 LEU HA . 30493 1 73 . 1 1 9 9 LEU HB2 H 1 1.668 0.020 . 2 . . . . A 9 LEU HB2 . 30493 1 74 . 1 1 9 9 LEU HB3 H 1 1.653 0.020 . 2 . . . . A 9 LEU HB3 . 30493 1 75 . 1 1 9 9 LEU HG H 1 1.862 0.020 . 1 . . . . A 9 LEU HG . 30493 1 76 . 1 1 9 9 LEU HD11 H 1 0.951 0.020 . 2 . . . . A 9 LEU HD11 . 30493 1 77 . 1 1 9 9 LEU HD12 H 1 0.951 0.020 . 2 . . . . A 9 LEU HD12 . 30493 1 78 . 1 1 9 9 LEU HD13 H 1 0.951 0.020 . 2 . . . . A 9 LEU HD13 . 30493 1 79 . 1 1 9 9 LEU HD21 H 1 0.945 0.020 . 2 . . . . A 9 LEU HD21 . 30493 1 80 . 1 1 9 9 LEU HD22 H 1 0.945 0.020 . 2 . . . . A 9 LEU HD22 . 30493 1 81 . 1 1 9 9 LEU HD23 H 1 0.945 0.020 . 2 . . . . A 9 LEU HD23 . 30493 1 82 . 1 1 9 9 LEU CA C 13 54.645 0.400 . 1 . . . . A 9 LEU CA . 30493 1 83 . 1 1 9 9 LEU CB C 13 44.155 0.400 . 1 . . . . A 9 LEU CB . 30493 1 84 . 1 1 9 9 LEU CG C 13 27.430 0.400 . 1 . . . . A 9 LEU CG . 30493 1 85 . 1 1 9 9 LEU CD1 C 13 24.102 0.400 . 1 . . . . A 9 LEU CD1 . 30493 1 86 . 1 1 9 9 LEU CD2 C 13 26.665 0.400 . 1 . . . . A 9 LEU CD2 . 30493 1 87 . 1 1 9 9 LEU N N 15 123.567 0.400 . 1 . . . . A 9 LEU N . 30493 1 88 . 1 1 10 10 SER H H 1 9.167 0.020 . 1 . . . . A 10 SER H . 30493 1 89 . 1 1 10 10 SER HA H 1 4.610 0.020 . 1 . . . . A 10 SER HA . 30493 1 90 . 1 1 10 10 SER HB2 H 1 4.520 0.020 . 2 . . . . A 10 SER HB2 . 30493 1 91 . 1 1 10 10 SER HB3 H 1 4.201 0.020 . 2 . . . . A 10 SER HB3 . 30493 1 92 . 1 1 10 10 SER CA C 13 57.516 0.400 . 1 . . . . A 10 SER CA . 30493 1 93 . 1 1 10 10 SER CB C 13 65.670 0.400 . 1 . . . . A 10 SER CB . 30493 1 94 . 1 1 10 10 SER N N 15 120.486 0.400 . 1 . . . . A 10 SER N . 30493 1 95 . 1 1 11 11 TYR H H 1 9.116 0.020 . 1 . . . . A 11 TYR H . 30493 1 96 . 1 1 11 11 TYR HA H 1 4.218 0.020 . 1 . . . . A 11 TYR HA . 30493 1 97 . 1 1 11 11 TYR HB2 H 1 3.370 0.020 . 2 . . . . A 11 TYR HB2 . 30493 1 98 . 1 1 11 11 TYR HB3 H 1 3.176 0.020 . 2 . . . . A 11 TYR HB3 . 30493 1 99 . 1 1 11 11 TYR HD1 H 1 7.276 0.020 . 1 . . . . A 11 TYR HD1 . 30493 1 100 . 1 1 11 11 TYR HD2 H 1 7.276 0.020 . 1 . . . . A 11 TYR HD2 . 30493 1 101 . 1 1 11 11 TYR HE1 H 1 6.950 0.020 . 1 . . . . A 11 TYR HE1 . 30493 1 102 . 1 1 11 11 TYR HE2 H 1 6.950 0.020 . 1 . . . . A 11 TYR HE2 . 30493 1 103 . 1 1 11 11 TYR CA C 13 62.608 0.400 . 1 . . . . A 11 TYR CA . 30493 1 104 . 1 1 11 11 TYR CB C 13 38.226 0.400 . 1 . . . . A 11 TYR CB . 30493 1 105 . 1 1 11 11 TYR CD1 C 13 134.904 0.400 . 1 . . . . A 11 TYR CD1 . 30493 1 106 . 1 1 11 11 TYR CD2 C 13 134.904 0.400 . 1 . . . . A 11 TYR CD2 . 30493 1 107 . 1 1 11 11 TYR CE1 C 13 120.143 0.400 . 1 . . . . A 11 TYR CE1 . 30493 1 108 . 1 1 11 11 TYR CE2 C 13 120.143 0.400 . 1 . . . . A 11 TYR CE2 . 30493 1 109 . 1 1 11 11 TYR N N 15 123.130 0.400 . 1 . . . . A 11 TYR N . 30493 1 110 . 1 1 12 12 ALA H H 1 8.779 0.020 . 1 . . . . A 12 ALA H . 30493 1 111 . 1 1 12 12 ALA HA H 1 4.135 0.020 . 1 . . . . A 12 ALA HA . 30493 1 112 . 1 1 12 12 ALA HB1 H 1 1.577 0.020 . 1 . . . . A 12 ALA HB1 . 30493 1 113 . 1 1 12 12 ALA HB2 H 1 1.577 0.020 . 1 . . . . A 12 ALA HB2 . 30493 1 114 . 1 1 12 12 ALA HB3 H 1 1.577 0.020 . 1 . . . . A 12 ALA HB3 . 30493 1 115 . 1 1 12 12 ALA CA C 13 55.117 0.400 . 1 . . . . A 12 ALA CA . 30493 1 116 . 1 1 12 12 ALA CB C 13 18.566 0.400 . 1 . . . . A 12 ALA CB . 30493 1 117 . 1 1 12 12 ALA N N 15 120.917 0.400 . 1 . . . . A 12 ALA N . 30493 1 118 . 1 1 13 13 GLU H H 1 8.047 0.020 . 1 . . . . A 13 GLU H . 30493 1 119 . 1 1 13 13 GLU HA H 1 4.081 0.020 . 1 . . . . A 13 GLU HA . 30493 1 120 . 1 1 13 13 GLU HB2 H 1 2.095 0.020 . 1 . . . . A 13 GLU HB2 . 30493 1 121 . 1 1 13 13 GLU HG2 H 1 2.500 0.020 . 2 . . . . A 13 GLU HG2 . 30493 1 122 . 1 1 13 13 GLU HG3 H 1 2.372 0.020 . 2 . . . . A 13 GLU HG3 . 30493 1 123 . 1 1 13 13 GLU CA C 13 59.327 0.400 . 1 . . . . A 13 GLU CA . 30493 1 124 . 1 1 13 13 GLU CB C 13 30.576 0.400 . 1 . . . . A 13 GLU CB . 30493 1 125 . 1 1 13 13 GLU CG C 13 37.323 0.400 . 1 . . . . A 13 GLU CG . 30493 1 126 . 1 1 13 13 GLU N N 15 119.527 0.400 . 1 . . . . A 13 GLU N . 30493 1 127 . 1 1 14 14 LYS H H 1 8.555 0.020 . 1 . . . . A 14 LYS H . 30493 1 128 . 1 1 14 14 LYS HA H 1 3.912 0.020 . 1 . . . . A 14 LYS HA . 30493 1 129 . 1 1 14 14 LYS HB2 H 1 2.042 0.020 . 2 . . . . A 14 LYS HB2 . 30493 1 130 . 1 1 14 14 LYS HB3 H 1 1.878 0.020 . 2 . . . . A 14 LYS HB3 . 30493 1 131 . 1 1 14 14 LYS HG2 H 1 1.670 0.020 . 2 . . . . A 14 LYS HG2 . 30493 1 132 . 1 1 14 14 LYS HG3 H 1 1.316 0.020 . 2 . . . . A 14 LYS HG3 . 30493 1 133 . 1 1 14 14 LYS HD2 H 1 1.763 0.020 . 1 . . . . A 14 LYS HD2 . 30493 1 134 . 1 1 14 14 LYS HD3 H 1 1.763 0.020 . 1 . . . . A 14 LYS HD3 . 30493 1 135 . 1 1 14 14 LYS HE2 H 1 3.031 0.020 . 2 . . . . A 14 LYS HE2 . 30493 1 136 . 1 1 14 14 LYS HE3 H 1 2.952 0.020 . 2 . . . . A 14 LYS HE3 . 30493 1 137 . 1 1 14 14 LYS CA C 13 61.060 0.400 . 1 . . . . A 14 LYS CA . 30493 1 138 . 1 1 14 14 LYS CB C 13 32.276 0.400 . 1 . . . . A 14 LYS CB . 30493 1 139 . 1 1 14 14 LYS CG C 13 26.907 0.400 . 1 . . . . A 14 LYS CG . 30493 1 140 . 1 1 14 14 LYS CD C 13 29.909 0.400 . 1 . . . . A 14 LYS CD . 30493 1 141 . 1 1 14 14 LYS CE C 13 42.058 0.400 . 1 . . . . A 14 LYS CE . 30493 1 142 . 1 1 14 14 LYS N N 15 121.561 0.400 . 1 . . . . A 14 LYS N . 30493 1 143 . 1 1 15 15 GLU H H 1 8.310 0.020 . 1 . . . . A 15 GLU H . 30493 1 144 . 1 1 15 15 GLU HA H 1 3.979 0.020 . 1 . . . . A 15 GLU HA . 30493 1 145 . 1 1 15 15 GLU HB2 H 1 2.145 0.020 . 2 . . . . A 15 GLU HB2 . 30493 1 146 . 1 1 15 15 GLU HB3 H 1 2.040 0.020 . 2 . . . . A 15 GLU HB3 . 30493 1 147 . 1 1 15 15 GLU HG2 H 1 1.985 0.020 . 2 . . . . A 15 GLU HG2 . 30493 1 148 . 1 1 15 15 GLU HG3 H 1 2.165 0.020 . 2 . . . . A 15 GLU HG3 . 30493 1 149 . 1 1 15 15 GLU CA C 13 59.347 0.400 . 1 . . . . A 15 GLU CA . 30493 1 150 . 1 1 15 15 GLU CB C 13 29.487 0.400 . 1 . . . . A 15 GLU CB . 30493 1 151 . 1 1 15 15 GLU CG C 13 36.592 0.400 . 1 . . . . A 15 GLU CG . 30493 1 152 . 1 1 15 15 GLU N N 15 119.171 0.400 . 1 . . . . A 15 GLU N . 30493 1 153 . 1 1 16 16 LYS H H 1 7.899 0.020 . 1 . . . . A 16 LYS H . 30493 1 154 . 1 1 16 16 LYS HA H 1 4.230 0.020 . 1 . . . . A 16 LYS HA . 30493 1 155 . 1 1 16 16 LYS HB2 H 1 2.093 0.020 . 2 . . . . A 16 LYS HB2 . 30493 1 156 . 1 1 16 16 LYS HB3 H 1 2.022 0.020 . 2 . . . . A 16 LYS HB3 . 30493 1 157 . 1 1 16 16 LYS HG2 H 1 1.729 0.020 . 2 . . . . A 16 LYS HG2 . 30493 1 158 . 1 1 16 16 LYS HG3 H 1 1.611 0.020 . 2 . . . . A 16 LYS HG3 . 30493 1 159 . 1 1 16 16 LYS HD2 H 1 1.873 0.020 . 2 . . . . A 16 LYS HD2 . 30493 1 160 . 1 1 16 16 LYS HD3 H 1 1.879 0.020 . 2 . . . . A 16 LYS HD3 . 30493 1 161 . 1 1 16 16 LYS HE2 H 1 3.072 0.020 . 2 . . . . A 16 LYS HE2 . 30493 1 162 . 1 1 16 16 LYS HE3 H 1 3.077 0.020 . 2 . . . . A 16 LYS HE3 . 30493 1 163 . 1 1 16 16 LYS CA C 13 59.522 0.400 . 1 . . . . A 16 LYS CA . 30493 1 164 . 1 1 16 16 LYS CB C 13 32.416 0.400 . 1 . . . . A 16 LYS CB . 30493 1 165 . 1 1 16 16 LYS CG C 13 25.446 0.400 . 1 . . . . A 16 LYS CG . 30493 1 166 . 1 1 16 16 LYS CD C 13 29.520 0.400 . 1 . . . . A 16 LYS CD . 30493 1 167 . 1 1 16 16 LYS CE C 13 42.159 0.400 . 1 . . . . A 16 LYS CE . 30493 1 168 . 1 1 16 16 LYS N N 15 120.436 0.400 . 1 . . . . A 16 LYS N . 30493 1 169 . 1 1 17 17 LEU H H 1 8.074 0.020 . 1 . . . . A 17 LEU H . 30493 1 170 . 1 1 17 17 LEU HA H 1 4.232 0.020 . 1 . . . . A 17 LEU HA . 30493 1 171 . 1 1 17 17 LEU HB2 H 1 2.238 0.020 . 2 . . . . A 17 LEU HB2 . 30493 1 172 . 1 1 17 17 LEU HB3 H 1 1.843 0.020 . 2 . . . . A 17 LEU HB3 . 30493 1 173 . 1 1 17 17 LEU HG H 1 2.046 0.020 . 1 . . . . A 17 LEU HG . 30493 1 174 . 1 1 17 17 LEU HD11 H 1 1.038 0.020 . 2 . . . . A 17 LEU HD11 . 30493 1 175 . 1 1 17 17 LEU HD12 H 1 1.038 0.020 . 2 . . . . A 17 LEU HD12 . 30493 1 176 . 1 1 17 17 LEU HD13 H 1 1.038 0.020 . 2 . . . . A 17 LEU HD13 . 30493 1 177 . 1 1 17 17 LEU HD21 H 1 0.950 0.020 . 2 . . . . A 17 LEU HD21 . 30493 1 178 . 1 1 17 17 LEU HD22 H 1 0.950 0.020 . 2 . . . . A 17 LEU HD22 . 30493 1 179 . 1 1 17 17 LEU HD23 H 1 0.950 0.020 . 2 . . . . A 17 LEU HD23 . 30493 1 180 . 1 1 17 17 LEU CA C 13 58.427 0.400 . 1 . . . . A 17 LEU CA . 30493 1 181 . 1 1 17 17 LEU CB C 13 41.880 0.400 . 1 . . . . A 17 LEU CB . 30493 1 182 . 1 1 17 17 LEU CG C 13 27.290 0.400 . 1 . . . . A 17 LEU CG . 30493 1 183 . 1 1 17 17 LEU CD1 C 13 23.555 0.400 . 1 . . . . A 17 LEU CD1 . 30493 1 184 . 1 1 17 17 LEU CD2 C 13 26.697 0.400 . 1 . . . . A 17 LEU CD2 . 30493 1 185 . 1 1 17 17 LEU N N 15 121.929 0.400 . 1 . . . . A 17 LEU N . 30493 1 186 . 1 1 18 18 LYS H H 1 8.330 0.020 . 1 . . . . A 18 LYS H . 30493 1 187 . 1 1 18 18 LYS HA H 1 3.957 0.020 . 1 . . . . A 18 LYS HA . 30493 1 188 . 1 1 18 18 LYS HB2 H 1 2.043 0.020 . 1 . . . . A 18 LYS HB2 . 30493 1 189 . 1 1 18 18 LYS HG2 H 1 1.782 0.020 . 2 . . . . A 18 LYS HG2 . 30493 1 190 . 1 1 18 18 LYS HG3 H 1 1.487 0.020 . 2 . . . . A 18 LYS HG3 . 30493 1 191 . 1 1 18 18 LYS HD2 H 1 1.826 0.020 . 1 . . . . A 18 LYS HD2 . 30493 1 192 . 1 1 18 18 LYS HE2 H 1 3.046 0.020 . 1 . . . . A 18 LYS HE2 . 30493 1 193 . 1 1 18 18 LYS CA C 13 60.749 0.400 . 1 . . . . A 18 LYS CA . 30493 1 194 . 1 1 18 18 LYS CB C 13 32.145 0.400 . 1 . . . . A 18 LYS CB . 30493 1 195 . 1 1 18 18 LYS CG C 13 26.233 0.400 . 1 . . . . A 18 LYS CG . 30493 1 196 . 1 1 18 18 LYS CD C 13 30.018 0.400 . 1 . . . . A 18 LYS CD . 30493 1 197 . 1 1 18 18 LYS CE C 13 42.296 0.400 . 1 . . . . A 18 LYS CE . 30493 1 198 . 1 1 18 18 LYS N N 15 120.452 0.400 . 1 . . . . A 18 LYS N . 30493 1 199 . 1 1 19 19 GLU H H 1 8.287 0.020 . 1 . . . . A 19 GLU H . 30493 1 200 . 1 1 19 19 GLU HA H 1 4.264 0.020 . 1 . . . . A 19 GLU HA . 30493 1 201 . 1 1 19 19 GLU HB2 H 1 2.322 0.020 . 2 . . . . A 19 GLU HB2 . 30493 1 202 . 1 1 19 19 GLU HB3 H 1 2.265 0.020 . 2 . . . . A 19 GLU HB3 . 30493 1 203 . 1 1 19 19 GLU HG2 H 1 2.588 0.020 . 2 . . . . A 19 GLU HG2 . 30493 1 204 . 1 1 19 19 GLU HG3 H 1 2.373 0.020 . 2 . . . . A 19 GLU HG3 . 30493 1 205 . 1 1 19 19 GLU CA C 13 59.410 0.400 . 1 . . . . A 19 GLU CA . 30493 1 206 . 1 1 19 19 GLU CB C 13 29.853 0.400 . 1 . . . . A 19 GLU CB . 30493 1 207 . 1 1 19 19 GLU CG C 13 36.727 0.400 . 1 . . . . A 19 GLU CG . 30493 1 208 . 1 1 19 19 GLU N N 15 121.852 0.400 . 1 . . . . A 19 GLU N . 30493 1 209 . 1 1 20 20 LYS H H 1 8.202 0.020 . 1 . . . . A 20 LYS H . 30493 1 210 . 1 1 20 20 LYS HA H 1 4.492 0.020 . 1 . . . . A 20 LYS HA . 30493 1 211 . 1 1 20 20 LYS HB2 H 1 2.297 0.020 . 2 . . . . A 20 LYS HB2 . 30493 1 212 . 1 1 20 20 LYS HB3 H 1 2.126 0.020 . 2 . . . . A 20 LYS HB3 . 30493 1 213 . 1 1 20 20 LYS HG2 H 1 1.559 0.020 . 2 . . . . A 20 LYS HG2 . 30493 1 214 . 1 1 20 20 LYS HG3 H 1 1.742 0.020 . 2 . . . . A 20 LYS HG3 . 30493 1 215 . 1 1 20 20 LYS HD2 H 1 1.898 0.020 . 2 . . . . A 20 LYS HD2 . 30493 1 216 . 1 1 20 20 LYS HD3 H 1 1.863 0.020 . 2 . . . . A 20 LYS HD3 . 30493 1 217 . 1 1 20 20 LYS HE2 H 1 3.087 0.020 . 2 . . . . A 20 LYS HE2 . 30493 1 218 . 1 1 20 20 LYS HE3 H 1 3.092 0.020 . 2 . . . . A 20 LYS HE3 . 30493 1 219 . 1 1 20 20 LYS CA C 13 59.636 0.400 . 1 . . . . A 20 LYS CA . 30493 1 220 . 1 1 20 20 LYS CB C 13 32.203 0.400 . 1 . . . . A 20 LYS CB . 30493 1 221 . 1 1 20 20 LYS CG C 13 25.302 0.400 . 1 . . . . A 20 LYS CG . 30493 1 222 . 1 1 20 20 LYS CD C 13 29.885 0.400 . 1 . . . . A 20 LYS CD . 30493 1 223 . 1 1 20 20 LYS CE C 13 42.297 0.400 . 1 . . . . A 20 LYS CE . 30493 1 224 . 1 1 20 20 LYS N N 15 123.716 0.400 . 1 . . . . A 20 LYS N . 30493 1 225 . 1 1 21 21 LEU H H 1 8.560 0.020 . 1 . . . . A 21 LEU H . 30493 1 226 . 1 1 21 21 LEU HA H 1 4.104 0.020 . 1 . . . . A 21 LEU HA . 30493 1 227 . 1 1 21 21 LEU HB2 H 1 2.055 0.020 . 2 . . . . A 21 LEU HB2 . 30493 1 228 . 1 1 21 21 LEU HB3 H 1 1.713 0.020 . 2 . . . . A 21 LEU HB3 . 30493 1 229 . 1 1 21 21 LEU HG H 1 1.903 0.020 . 1 . . . . A 21 LEU HG . 30493 1 230 . 1 1 21 21 LEU HD11 H 1 0.721 0.020 . 2 . . . . A 21 LEU HD11 . 30493 1 231 . 1 1 21 21 LEU HD12 H 1 0.721 0.020 . 2 . . . . A 21 LEU HD12 . 30493 1 232 . 1 1 21 21 LEU HD13 H 1 0.721 0.020 . 2 . . . . A 21 LEU HD13 . 30493 1 233 . 1 1 21 21 LEU HD21 H 1 0.434 0.020 . 2 . . . . A 21 LEU HD21 . 30493 1 234 . 1 1 21 21 LEU HD22 H 1 0.434 0.020 . 2 . . . . A 21 LEU HD22 . 30493 1 235 . 1 1 21 21 LEU HD23 H 1 0.434 0.020 . 2 . . . . A 21 LEU HD23 . 30493 1 236 . 1 1 21 21 LEU CA C 13 59.087 0.400 . 1 . . . . A 21 LEU CA . 30493 1 237 . 1 1 21 21 LEU CB C 13 41.755 0.400 . 1 . . . . A 21 LEU CB . 30493 1 238 . 1 1 21 21 LEU CG C 13 26.644 0.400 . 1 . . . . A 21 LEU CG . 30493 1 239 . 1 1 21 21 LEU CD1 C 13 26.861 0.400 . 1 . . . . A 21 LEU CD1 . 30493 1 240 . 1 1 21 21 LEU CD2 C 13 24.635 0.400 . 1 . . . . A 21 LEU CD2 . 30493 1 241 . 1 1 21 21 LEU N N 15 119.982 0.400 . 1 . . . . A 21 LEU N . 30493 1 242 . 1 1 22 22 ALA H H 1 7.791 0.020 . 1 . . . . A 22 ALA H . 30493 1 243 . 1 1 22 22 ALA HA H 1 4.340 0.020 . 1 . . . . A 22 ALA HA . 30493 1 244 . 1 1 22 22 ALA HB1 H 1 1.726 0.020 . 1 . . . . A 22 ALA HB1 . 30493 1 245 . 1 1 22 22 ALA HB2 H 1 1.726 0.020 . 1 . . . . A 22 ALA HB2 . 30493 1 246 . 1 1 22 22 ALA HB3 H 1 1.726 0.020 . 1 . . . . A 22 ALA HB3 . 30493 1 247 . 1 1 22 22 ALA CA C 13 55.519 0.400 . 1 . . . . A 22 ALA CA . 30493 1 248 . 1 1 22 22 ALA CB C 13 18.213 0.400 . 1 . . . . A 22 ALA CB . 30493 1 249 . 1 1 22 22 ALA N N 15 120.436 0.400 . 1 . . . . A 22 ALA N . 30493 1 250 . 1 1 23 23 PHE H H 1 8.474 0.020 . 1 . . . . A 23 PHE H . 30493 1 251 . 1 1 23 23 PHE HA H 1 4.503 0.020 . 1 . . . . A 23 PHE HA . 30493 1 252 . 1 1 23 23 PHE HB2 H 1 3.556 0.020 . 1 . . . . A 23 PHE HB2 . 30493 1 253 . 1 1 23 23 PHE HB3 H 1 3.556 0.020 . 1 . . . . A 23 PHE HB3 . 30493 1 254 . 1 1 23 23 PHE HD1 H 1 7.428 0.020 . 1 . . . . A 23 PHE HD1 . 30493 1 255 . 1 1 23 23 PHE HD2 H 1 7.428 0.020 . 1 . . . . A 23 PHE HD2 . 30493 1 256 . 1 1 23 23 PHE HE1 H 1 7.492 0.020 . 1 . . . . A 23 PHE HE1 . 30493 1 257 . 1 1 23 23 PHE HE2 H 1 7.492 0.020 . 1 . . . . A 23 PHE HE2 . 30493 1 258 . 1 1 23 23 PHE HZ H 1 7.433 0.020 . 1 . . . . A 23 PHE HZ . 30493 1 259 . 1 1 23 23 PHE CA C 13 61.439 0.400 . 1 . . . . A 23 PHE CA . 30493 1 260 . 1 1 23 23 PHE CB C 13 39.175 0.400 . 1 . . . . A 23 PHE CB . 30493 1 261 . 1 1 23 23 PHE CD1 C 13 133.767 0.400 . 1 . . . . A 23 PHE CD1 . 30493 1 262 . 1 1 23 23 PHE CD2 C 13 133.767 0.400 . 1 . . . . A 23 PHE CD2 . 30493 1 263 . 1 1 23 23 PHE CE1 C 13 133.738 0.400 . 1 . . . . A 23 PHE CE1 . 30493 1 264 . 1 1 23 23 PHE CE2 C 13 133.738 0.400 . 1 . . . . A 23 PHE CE2 . 30493 1 265 . 1 1 23 23 PHE CZ C 13 131.862 0.400 . 1 . . . . A 23 PHE CZ . 30493 1 266 . 1 1 23 23 PHE N N 15 121.906 0.400 . 1 . . . . A 23 PHE N . 30493 1 267 . 1 1 24 24 LEU H H 1 9.200 0.020 . 1 . . . . A 24 LEU H . 30493 1 268 . 1 1 24 24 LEU HA H 1 3.993 0.020 . 1 . . . . A 24 LEU HA . 30493 1 269 . 1 1 24 24 LEU HB2 H 1 2.536 0.020 . 2 . . . . A 24 LEU HB2 . 30493 1 270 . 1 1 24 24 LEU HB3 H 1 1.574 0.020 . 2 . . . . A 24 LEU HB3 . 30493 1 271 . 1 1 24 24 LEU HG H 1 2.474 0.020 . 1 . . . . A 24 LEU HG . 30493 1 272 . 1 1 24 24 LEU HD11 H 1 1.237 0.020 . 2 . . . . A 24 LEU HD11 . 30493 1 273 . 1 1 24 24 LEU HD12 H 1 1.237 0.020 . 2 . . . . A 24 LEU HD12 . 30493 1 274 . 1 1 24 24 LEU HD13 H 1 1.237 0.020 . 2 . . . . A 24 LEU HD13 . 30493 1 275 . 1 1 24 24 LEU HD21 H 1 1.029 0.020 . 2 . . . . A 24 LEU HD21 . 30493 1 276 . 1 1 24 24 LEU HD22 H 1 1.029 0.020 . 2 . . . . A 24 LEU HD22 . 30493 1 277 . 1 1 24 24 LEU HD23 H 1 1.029 0.020 . 2 . . . . A 24 LEU HD23 . 30493 1 278 . 1 1 24 24 LEU CA C 13 58.269 0.400 . 1 . . . . A 24 LEU CA . 30493 1 279 . 1 1 24 24 LEU CB C 13 43.473 0.400 . 1 . . . . A 24 LEU CB . 30493 1 280 . 1 1 24 24 LEU CG C 13 26.968 0.400 . 1 . . . . A 24 LEU CG . 30493 1 281 . 1 1 24 24 LEU CD1 C 13 23.348 0.400 . 1 . . . . A 24 LEU CD1 . 30493 1 282 . 1 1 24 24 LEU CD2 C 13 26.890 0.400 . 1 . . . . A 24 LEU CD2 . 30493 1 283 . 1 1 24 24 LEU N N 15 121.381 0.400 . 1 . . . . A 24 LEU N . 30493 1 284 . 1 1 25 25 LYS H H 1 8.517 0.020 . 1 . . . . A 25 LYS H . 30493 1 285 . 1 1 25 25 LYS HA H 1 3.985 0.020 . 1 . . . . A 25 LYS HA . 30493 1 286 . 1 1 25 25 LYS HB2 H 1 2.117 0.020 . 1 . . . . A 25 LYS HB2 . 30493 1 287 . 1 1 25 25 LYS HB3 H 1 2.118 0.020 . 1 . . . . A 25 LYS HB3 . 30493 1 288 . 1 1 25 25 LYS HG2 H 1 1.495 0.020 . 2 . . . . A 25 LYS HG2 . 30493 1 289 . 1 1 25 25 LYS HG3 H 1 1.696 0.020 . 2 . . . . A 25 LYS HG3 . 30493 1 290 . 1 1 25 25 LYS HD2 H 1 1.828 0.020 . 2 . . . . A 25 LYS HD2 . 30493 1 291 . 1 1 25 25 LYS HD3 H 1 1.811 0.020 . 2 . . . . A 25 LYS HD3 . 30493 1 292 . 1 1 25 25 LYS HE2 H 1 3.052 0.020 . 1 . . . . A 25 LYS HE2 . 30493 1 293 . 1 1 25 25 LYS HE3 H 1 3.052 0.020 . 1 . . . . A 25 LYS HE3 . 30493 1 294 . 1 1 25 25 LYS CA C 13 60.576 0.400 . 1 . . . . A 25 LYS CA . 30493 1 295 . 1 1 25 25 LYS CB C 13 32.926 0.400 . 1 . . . . A 25 LYS CB . 30493 1 296 . 1 1 25 25 LYS CG C 13 25.753 0.400 . 1 . . . . A 25 LYS CG . 30493 1 297 . 1 1 25 25 LYS CD C 13 29.679 0.400 . 1 . . . . A 25 LYS CD . 30493 1 298 . 1 1 25 25 LYS CE C 13 42.282 0.400 . 1 . . . . A 25 LYS CE . 30493 1 299 . 1 1 25 25 LYS N N 15 119.630 0.400 . 1 . . . . A 25 LYS N . 30493 1 300 . 1 1 26 26 LYS H H 1 7.917 0.020 . 1 . . . . A 26 LYS H . 30493 1 301 . 1 1 26 26 LYS HA H 1 4.247 0.020 . 1 . . . . A 26 LYS HA . 30493 1 302 . 1 1 26 26 LYS HB2 H 1 2.022 0.020 . 2 . . . . A 26 LYS HB2 . 30493 1 303 . 1 1 26 26 LYS HB3 H 1 2.096 0.020 . 2 . . . . A 26 LYS HB3 . 30493 1 304 . 1 1 26 26 LYS HG2 H 1 1.739 0.020 . 2 . . . . A 26 LYS HG2 . 30493 1 305 . 1 1 26 26 LYS HG3 H 1 1.579 0.020 . 2 . . . . A 26 LYS HG3 . 30493 1 306 . 1 1 26 26 LYS HD2 H 1 1.850 0.020 . 1 . . . . A 26 LYS HD2 . 30493 1 307 . 1 1 26 26 LYS HD3 H 1 1.849 0.020 . 1 . . . . A 26 LYS HD3 . 30493 1 308 . 1 1 26 26 LYS HE2 H 1 3.098 0.020 . 1 . . . . A 26 LYS HE2 . 30493 1 309 . 1 1 26 26 LYS HE3 H 1 3.098 0.020 . 1 . . . . A 26 LYS HE3 . 30493 1 310 . 1 1 26 26 LYS CA C 13 59.718 0.400 . 1 . . . . A 26 LYS CA . 30493 1 311 . 1 1 26 26 LYS CB C 13 32.219 0.400 . 1 . . . . A 26 LYS CB . 30493 1 312 . 1 1 26 26 LYS CG C 13 25.225 0.400 . 1 . . . . A 26 LYS CG . 30493 1 313 . 1 1 26 26 LYS CD C 13 29.645 0.400 . 1 . . . . A 26 LYS CD . 30493 1 314 . 1 1 26 26 LYS CE C 13 42.206 0.400 . 1 . . . . A 26 LYS CE . 30493 1 315 . 1 1 26 26 LYS N N 15 121.758 0.400 . 1 . . . . A 26 LYS N . 30493 1 316 . 1 1 27 27 GLU H H 1 8.828 0.020 . 1 . . . . A 27 GLU H . 30493 1 317 . 1 1 27 27 GLU HA H 1 4.191 0.020 . 1 . . . . A 27 GLU HA . 30493 1 318 . 1 1 27 27 GLU HB2 H 1 1.883 0.020 . 1 . . . . A 27 GLU HB2 . 30493 1 319 . 1 1 27 27 GLU HB3 H 1 1.882 0.020 . 1 . . . . A 27 GLU HB3 . 30493 1 320 . 1 1 27 27 GLU HG2 H 1 2.115 0.020 . 2 . . . . A 27 GLU HG2 . 30493 1 321 . 1 1 27 27 GLU HG3 H 1 2.000 0.020 . 2 . . . . A 27 GLU HG3 . 30493 1 322 . 1 1 27 27 GLU CA C 13 58.807 0.400 . 1 . . . . A 27 GLU CA . 30493 1 323 . 1 1 27 27 GLU CB C 13 29.939 0.400 . 1 . . . . A 27 GLU CB . 30493 1 324 . 1 1 27 27 GLU CG C 13 36.355 0.400 . 1 . . . . A 27 GLU CG . 30493 1 325 . 1 1 27 27 GLU N N 15 121.947 0.400 . 1 . . . . A 27 GLU N . 30493 1 326 . 1 1 28 28 TYR H H 1 9.180 0.020 . 1 . . . . A 28 TYR H . 30493 1 327 . 1 1 28 28 TYR HA H 1 3.910 0.020 . 1 . . . . A 28 TYR HA . 30493 1 328 . 1 1 28 28 TYR HB2 H 1 3.367 0.020 . 2 . . . . A 28 TYR HB2 . 30493 1 329 . 1 1 28 28 TYR HB3 H 1 3.080 0.020 . 2 . . . . A 28 TYR HB3 . 30493 1 330 . 1 1 28 28 TYR HD1 H 1 7.081 0.020 . 1 . . . . A 28 TYR HD1 . 30493 1 331 . 1 1 28 28 TYR HD2 H 1 7.081 0.020 . 1 . . . . A 28 TYR HD2 . 30493 1 332 . 1 1 28 28 TYR HE1 H 1 6.916 0.020 . 1 . . . . A 28 TYR HE1 . 30493 1 333 . 1 1 28 28 TYR HE2 H 1 6.916 0.020 . 1 . . . . A 28 TYR HE2 . 30493 1 334 . 1 1 28 28 TYR CA C 13 62.913 0.400 . 1 . . . . A 28 TYR CA . 30493 1 335 . 1 1 28 28 TYR CB C 13 38.768 0.400 . 1 . . . . A 28 TYR CB . 30493 1 336 . 1 1 28 28 TYR CD1 C 13 135.022 0.400 . 1 . . . . A 28 TYR CD1 . 30493 1 337 . 1 1 28 28 TYR CD2 C 13 135.022 0.400 . 1 . . . . A 28 TYR CD2 . 30493 1 338 . 1 1 28 28 TYR CE1 C 13 120.375 0.400 . 1 . . . . A 28 TYR CE1 . 30493 1 339 . 1 1 28 28 TYR CE2 C 13 120.375 0.400 . 1 . . . . A 28 TYR CE2 . 30493 1 340 . 1 1 28 28 TYR N N 15 125.885 0.400 . 1 . . . . A 28 TYR N . 30493 1 341 . 1 1 29 29 SER H H 1 8.386 0.020 . 1 . . . . A 29 SER H . 30493 1 342 . 1 1 29 29 SER HA H 1 4.230 0.020 . 1 . . . . A 29 SER HA . 30493 1 343 . 1 1 29 29 SER CA C 13 62.841 0.400 . 1 . . . . A 29 SER CA . 30493 1 344 . 1 1 29 29 SER N N 15 115.549 0.400 . 1 . . . . A 29 SER N . 30493 1 345 . 1 1 30 30 ARG H H 1 8.458 0.020 . 1 . . . . A 30 ARG H . 30493 1 346 . 1 1 30 30 ARG HA H 1 4.221 0.020 . 1 . . . . A 30 ARG HA . 30493 1 347 . 1 1 30 30 ARG HB2 H 1 2.038 0.020 . 2 . . . . A 30 ARG HB2 . 30493 1 348 . 1 1 30 30 ARG HB3 H 1 1.971 0.020 . 2 . . . . A 30 ARG HB3 . 30493 1 349 . 1 1 30 30 ARG HG2 H 1 1.890 0.020 . 2 . . . . A 30 ARG HG2 . 30493 1 350 . 1 1 30 30 ARG HG3 H 1 1.751 0.020 . 2 . . . . A 30 ARG HG3 . 30493 1 351 . 1 1 30 30 ARG HD2 H 1 3.320 0.020 . 1 . . . . A 30 ARG HD2 . 30493 1 352 . 1 1 30 30 ARG HD3 H 1 3.321 0.020 . 1 . . . . A 30 ARG HD3 . 30493 1 353 . 1 1 30 30 ARG CA C 13 59.790 0.400 . 1 . . . . A 30 ARG CA . 30493 1 354 . 1 1 30 30 ARG CB C 13 30.905 0.400 . 1 . . . . A 30 ARG CB . 30493 1 355 . 1 1 30 30 ARG CG C 13 28.011 0.400 . 1 . . . . A 30 ARG CG . 30493 1 356 . 1 1 30 30 ARG CD C 13 43.803 0.400 . 1 . . . . A 30 ARG CD . 30493 1 357 . 1 1 30 30 ARG N N 15 122.330 0.400 . 1 . . . . A 30 ARG N . 30493 1 358 . 1 1 31 31 THR H H 1 8.127 0.020 . 1 . . . . A 31 THR H . 30493 1 359 . 1 1 31 31 THR HB H 1 3.878 0.020 . 1 . . . . A 31 THR HB . 30493 1 360 . 1 1 31 31 THR CB C 13 67.795 0.400 . 1 . . . . A 31 THR CB . 30493 1 361 . 1 1 31 31 THR N N 15 119.674 0.400 . 1 . . . . A 31 THR N . 30493 1 362 . 1 1 32 32 LEU H H 1 8.691 0.020 . 1 . . . . A 32 LEU H . 30493 1 363 . 1 1 32 32 LEU HA H 1 3.952 0.020 . 1 . . . . A 32 LEU HA . 30493 1 364 . 1 1 32 32 LEU HB2 H 1 1.776 0.020 . 2 . . . . A 32 LEU HB2 . 30493 1 365 . 1 1 32 32 LEU HB3 H 1 1.345 0.020 . 2 . . . . A 32 LEU HB3 . 30493 1 366 . 1 1 32 32 LEU HG H 1 1.524 0.020 . 1 . . . . A 32 LEU HG . 30493 1 367 . 1 1 32 32 LEU HD11 H 1 0.950 0.020 . 2 . . . . A 32 LEU HD11 . 30493 1 368 . 1 1 32 32 LEU HD12 H 1 0.950 0.020 . 2 . . . . A 32 LEU HD12 . 30493 1 369 . 1 1 32 32 LEU HD13 H 1 0.950 0.020 . 2 . . . . A 32 LEU HD13 . 30493 1 370 . 1 1 32 32 LEU HD21 H 1 0.999 0.020 . 2 . . . . A 32 LEU HD21 . 30493 1 371 . 1 1 32 32 LEU HD22 H 1 0.999 0.020 . 2 . . . . A 32 LEU HD22 . 30493 1 372 . 1 1 32 32 LEU HD23 H 1 0.999 0.020 . 2 . . . . A 32 LEU HD23 . 30493 1 373 . 1 1 32 32 LEU CA C 13 58.185 0.400 . 1 . . . . A 32 LEU CA . 30493 1 374 . 1 1 32 32 LEU CB C 13 41.913 0.400 . 1 . . . . A 32 LEU CB . 30493 1 375 . 1 1 32 32 LEU CG C 13 26.580 0.400 . 1 . . . . A 32 LEU CG . 30493 1 376 . 1 1 32 32 LEU CD1 C 13 24.092 0.400 . 1 . . . . A 32 LEU CD1 . 30493 1 377 . 1 1 32 32 LEU CD2 C 13 25.847 0.400 . 1 . . . . A 32 LEU CD2 . 30493 1 378 . 1 1 32 32 LEU N N 15 123.831 0.400 . 1 . . . . A 32 LEU N . 30493 1 379 . 1 1 33 33 ALA H H 1 8.022 0.020 . 1 . . . . A 33 ALA H . 30493 1 380 . 1 1 33 33 ALA HA H 1 4.282 0.020 . 1 . . . . A 33 ALA HA . 30493 1 381 . 1 1 33 33 ALA HB1 H 1 1.610 0.020 . 1 . . . . A 33 ALA HB1 . 30493 1 382 . 1 1 33 33 ALA HB2 H 1 1.610 0.020 . 1 . . . . A 33 ALA HB2 . 30493 1 383 . 1 1 33 33 ALA HB3 H 1 1.610 0.020 . 1 . . . . A 33 ALA HB3 . 30493 1 384 . 1 1 33 33 ALA CA C 13 55.180 0.400 . 1 . . . . A 33 ALA CA . 30493 1 385 . 1 1 33 33 ALA CB C 13 18.018 0.400 . 1 . . . . A 33 ALA CB . 30493 1 386 . 1 1 33 33 ALA N N 15 120.337 0.400 . 1 . . . . A 33 ALA N . 30493 1 387 . 1 1 34 34 ARG H H 1 7.655 0.020 . 1 . . . . A 34 ARG H . 30493 1 388 . 1 1 34 34 ARG HA H 1 4.194 0.020 . 1 . . . . A 34 ARG HA . 30493 1 389 . 1 1 34 34 ARG HB2 H 1 2.125 0.020 . 2 . . . . A 34 ARG HB2 . 30493 1 390 . 1 1 34 34 ARG HB3 H 1 2.119 0.020 . 2 . . . . A 34 ARG HB3 . 30493 1 391 . 1 1 34 34 ARG HG2 H 1 1.980 0.020 . 2 . . . . A 34 ARG HG2 . 30493 1 392 . 1 1 34 34 ARG HG3 H 1 1.810 0.020 . 2 . . . . A 34 ARG HG3 . 30493 1 393 . 1 1 34 34 ARG HD2 H 1 3.295 0.020 . 2 . . . . A 34 ARG HD2 . 30493 1 394 . 1 1 34 34 ARG HD3 H 1 3.377 0.020 . 2 . . . . A 34 ARG HD3 . 30493 1 395 . 1 1 34 34 ARG CA C 13 59.275 0.400 . 1 . . . . A 34 ARG CA . 30493 1 396 . 1 1 34 34 ARG CB C 13 30.327 0.400 . 1 . . . . A 34 ARG CB . 30493 1 397 . 1 1 34 34 ARG CG C 13 27.931 0.400 . 1 . . . . A 34 ARG CG . 30493 1 398 . 1 1 34 34 ARG CD C 13 43.800 0.400 . 1 . . . . A 34 ARG CD . 30493 1 399 . 1 1 34 34 ARG N N 15 118.698 0.400 . 1 . . . . A 34 ARG N . 30493 1 400 . 1 1 35 35 LEU H H 1 7.911 0.020 . 1 . . . . A 35 LEU H . 30493 1 401 . 1 1 35 35 LEU HA H 1 4.148 0.020 . 1 . . . . A 35 LEU HA . 30493 1 402 . 1 1 35 35 LEU HB2 H 1 1.934 0.020 . 2 . . . . A 35 LEU HB2 . 30493 1 403 . 1 1 35 35 LEU HB3 H 1 1.811 0.020 . 2 . . . . A 35 LEU HB3 . 30493 1 404 . 1 1 35 35 LEU HG H 1 1.716 0.020 . 1 . . . . A 35 LEU HG . 30493 1 405 . 1 1 35 35 LEU HD11 H 1 0.992 0.020 . 2 . . . . A 35 LEU HD11 . 30493 1 406 . 1 1 35 35 LEU HD12 H 1 0.992 0.020 . 2 . . . . A 35 LEU HD12 . 30493 1 407 . 1 1 35 35 LEU HD13 H 1 0.992 0.020 . 2 . . . . A 35 LEU HD13 . 30493 1 408 . 1 1 35 35 LEU HD21 H 1 0.985 0.020 . 2 . . . . A 35 LEU HD21 . 30493 1 409 . 1 1 35 35 LEU HD22 H 1 0.985 0.020 . 2 . . . . A 35 LEU HD22 . 30493 1 410 . 1 1 35 35 LEU HD23 H 1 0.985 0.020 . 2 . . . . A 35 LEU HD23 . 30493 1 411 . 1 1 35 35 LEU CA C 13 57.753 0.400 . 1 . . . . A 35 LEU CA . 30493 1 412 . 1 1 35 35 LEU CB C 13 42.340 0.400 . 1 . . . . A 35 LEU CB . 30493 1 413 . 1 1 35 35 LEU CG C 13 27.442 0.400 . 1 . . . . A 35 LEU CG . 30493 1 414 . 1 1 35 35 LEU CD1 C 13 25.534 0.400 . 1 . . . . A 35 LEU CD1 . 30493 1 415 . 1 1 35 35 LEU CD2 C 13 24.840 0.400 . 1 . . . . A 35 LEU CD2 . 30493 1 416 . 1 1 35 35 LEU N N 15 120.860 0.400 . 1 . . . . A 35 LEU N . 30493 1 417 . 1 1 36 36 GLN H H 1 8.620 0.020 . 1 . . . . A 36 GLN H . 30493 1 418 . 1 1 36 36 GLN HA H 1 4.227 0.020 . 1 . . . . A 36 GLN HA . 30493 1 419 . 1 1 36 36 GLN HB2 H 1 2.281 0.020 . 2 . . . . A 36 GLN HB2 . 30493 1 420 . 1 1 36 36 GLN HB3 H 1 2.203 0.020 . 2 . . . . A 36 GLN HB3 . 30493 1 421 . 1 1 36 36 GLN HG2 H 1 2.633 0.020 . 2 . . . . A 36 GLN HG2 . 30493 1 422 . 1 1 36 36 GLN HG3 H 1 2.496 0.020 . 2 . . . . A 36 GLN HG3 . 30493 1 423 . 1 1 36 36 GLN HE21 H 1 7.575 0.020 . 2 . . . . A 36 GLN HE21 . 30493 1 424 . 1 1 36 36 GLN HE22 H 1 7.087 0.020 . 2 . . . . A 36 GLN HE22 . 30493 1 425 . 1 1 36 36 GLN CA C 13 58.193 0.400 . 1 . . . . A 36 GLN CA . 30493 1 426 . 1 1 36 36 GLN CB C 13 28.855 0.400 . 1 . . . . A 36 GLN CB . 30493 1 427 . 1 1 36 36 GLN CG C 13 34.126 0.400 . 1 . . . . A 36 GLN CG . 30493 1 428 . 1 1 36 36 GLN N N 15 119.011 0.400 . 1 . . . . A 36 GLN N . 30493 1 429 . 1 1 36 36 GLN NE2 N 15 112.209 0.400 . 1 . . . . A 36 GLN NE2 . 30493 1 430 . 1 1 37 37 ARG H H 1 8.207 0.020 . 1 . . . . A 37 ARG H . 30493 1 431 . 1 1 37 37 ARG HA H 1 4.224 0.020 . 1 . . . . A 37 ARG HA . 30493 1 432 . 1 1 37 37 ARG HB2 H 1 2.063 0.020 . 2 . . . . A 37 ARG HB2 . 30493 1 433 . 1 1 37 37 ARG HB3 H 1 2.068 0.020 . 2 . . . . A 37 ARG HB3 . 30493 1 434 . 1 1 37 37 ARG HG2 H 1 1.931 0.020 . 2 . . . . A 37 ARG HG2 . 30493 1 435 . 1 1 37 37 ARG HG3 H 1 1.784 0.020 . 2 . . . . A 37 ARG HG3 . 30493 1 436 . 1 1 37 37 ARG HD2 H 1 3.338 0.020 . 1 . . . . A 37 ARG HD2 . 30493 1 437 . 1 1 37 37 ARG HD3 H 1 3.338 0.020 . 1 . . . . A 37 ARG HD3 . 30493 1 438 . 1 1 37 37 ARG CA C 13 58.750 0.400 . 1 . . . . A 37 ARG CA . 30493 1 439 . 1 1 37 37 ARG CB C 13 30.582 0.400 . 1 . . . . A 37 ARG CB . 30493 1 440 . 1 1 37 37 ARG CG C 13 27.701 0.400 . 1 . . . . A 37 ARG CG . 30493 1 441 . 1 1 37 37 ARG CD C 13 43.861 0.400 . 1 . . . . A 37 ARG CD . 30493 1 442 . 1 1 37 37 ARG N N 15 120.475 0.400 . 1 . . . . A 37 ARG N . 30493 1 443 . 1 1 38 38 ALA H H 1 7.965 0.020 . 1 . . . . A 38 ALA H . 30493 1 444 . 1 1 38 38 ALA HA H 1 4.418 0.020 . 1 . . . . A 38 ALA HA . 30493 1 445 . 1 1 38 38 ALA HB1 H 1 1.635 0.020 . 1 . . . . A 38 ALA HB1 . 30493 1 446 . 1 1 38 38 ALA HB2 H 1 1.635 0.020 . 1 . . . . A 38 ALA HB2 . 30493 1 447 . 1 1 38 38 ALA HB3 H 1 1.635 0.020 . 1 . . . . A 38 ALA HB3 . 30493 1 448 . 1 1 38 38 ALA CA C 13 53.823 0.400 . 1 . . . . A 38 ALA CA . 30493 1 449 . 1 1 38 38 ALA CB C 13 18.963 0.400 . 1 . . . . A 38 ALA CB . 30493 1 450 . 1 1 38 38 ALA N N 15 123.306 0.400 . 1 . . . . A 38 ALA N . 30493 1 451 . 1 1 39 39 LYS H H 1 8.211 0.020 . 1 . . . . A 39 LYS H . 30493 1 452 . 1 1 39 39 LYS HA H 1 4.305 0.020 . 1 . . . . A 39 LYS HA . 30493 1 453 . 1 1 39 39 LYS HB2 H 1 2.000 0.020 . 2 . . . . A 39 LYS HB2 . 30493 1 454 . 1 1 39 39 LYS HB3 H 1 2.011 0.020 . 2 . . . . A 39 LYS HB3 . 30493 1 455 . 1 1 39 39 LYS HG2 H 1 1.651 0.020 . 2 . . . . A 39 LYS HG2 . 30493 1 456 . 1 1 39 39 LYS HG3 H 1 1.557 0.020 . 2 . . . . A 39 LYS HG3 . 30493 1 457 . 1 1 39 39 LYS HD2 H 1 1.801 0.020 . 2 . . . . A 39 LYS HD2 . 30493 1 458 . 1 1 39 39 LYS HD3 H 1 1.795 0.020 . 2 . . . . A 39 LYS HD3 . 30493 1 459 . 1 1 39 39 LYS HE2 H 1 3.115 0.020 . 1 . . . . A 39 LYS HE2 . 30493 1 460 . 1 1 39 39 LYS HE3 H 1 3.114 0.020 . 1 . . . . A 39 LYS HE3 . 30493 1 461 . 1 1 39 39 LYS CA C 13 58.158 0.400 . 1 . . . . A 39 LYS CA . 30493 1 462 . 1 1 39 39 LYS CB C 13 32.681 0.400 . 1 . . . . A 39 LYS CB . 30493 1 463 . 1 1 39 39 LYS CG C 13 25.199 0.400 . 1 . . . . A 39 LYS CG . 30493 1 464 . 1 1 39 39 LYS CD C 13 29.333 0.400 . 1 . . . . A 39 LYS CD . 30493 1 465 . 1 1 39 39 LYS CE C 13 42.135 0.400 . 1 . . . . A 39 LYS CE . 30493 1 466 . 1 1 39 39 LYS N N 15 120.730 0.400 . 1 . . . . A 39 LYS N . 30493 1 467 . 1 1 40 40 ARG H H 1 8.256 0.020 . 1 . . . . A 40 ARG H . 30493 1 468 . 1 1 40 40 ARG HA H 1 4.319 0.020 . 1 . . . . A 40 ARG HA . 30493 1 469 . 1 1 40 40 ARG HB2 H 1 1.998 0.020 . 2 . . . . A 40 ARG HB2 . 30493 1 470 . 1 1 40 40 ARG HB3 H 1 1.993 0.020 . 2 . . . . A 40 ARG HB3 . 30493 1 471 . 1 1 40 40 ARG HG2 H 1 1.882 0.020 . 2 . . . . A 40 ARG HG2 . 30493 1 472 . 1 1 40 40 ARG HG3 H 1 1.777 0.020 . 2 . . . . A 40 ARG HG3 . 30493 1 473 . 1 1 40 40 ARG HD2 H 1 3.336 0.020 . 2 . . . . A 40 ARG HD2 . 30493 1 474 . 1 1 40 40 ARG HD3 H 1 3.327 0.020 . 2 . . . . A 40 ARG HD3 . 30493 1 475 . 1 1 40 40 ARG CA C 13 57.850 0.400 . 1 . . . . A 40 ARG CA . 30493 1 476 . 1 1 40 40 ARG CB C 13 30.856 0.400 . 1 . . . . A 40 ARG CB . 30493 1 477 . 1 1 40 40 ARG CG C 13 27.694 0.400 . 1 . . . . A 40 ARG CG . 30493 1 478 . 1 1 40 40 ARG CD C 13 43.733 0.400 . 1 . . . . A 40 ARG CD . 30493 1 479 . 1 1 40 40 ARG N N 15 121.725 0.400 . 1 . . . . A 40 ARG N . 30493 1 480 . 1 1 41 41 ALA H H 1 8.224 0.020 . 1 . . . . A 41 ALA H . 30493 1 481 . 1 1 41 41 ALA HA H 1 4.416 0.020 . 1 . . . . A 41 ALA HA . 30493 1 482 . 1 1 41 41 ALA HB1 H 1 1.538 0.020 . 1 . . . . A 41 ALA HB1 . 30493 1 483 . 1 1 41 41 ALA HB2 H 1 1.538 0.020 . 1 . . . . A 41 ALA HB2 . 30493 1 484 . 1 1 41 41 ALA HB3 H 1 1.538 0.020 . 1 . . . . A 41 ALA HB3 . 30493 1 485 . 1 1 41 41 ALA CA C 13 53.284 0.400 . 1 . . . . A 41 ALA CA . 30493 1 486 . 1 1 41 41 ALA CB C 13 18.910 0.400 . 1 . . . . A 41 ALA CB . 30493 1 487 . 1 1 41 41 ALA N N 15 124.078 0.400 . 1 . . . . A 41 ALA N . 30493 1 488 . 1 1 42 42 GLU H H 1 8.159 0.020 . 1 . . . . A 42 GLU H . 30493 1 489 . 1 1 42 42 GLU HA H 1 4.336 0.020 . 1 . . . . A 42 GLU HA . 30493 1 490 . 1 1 42 42 GLU HB2 H 1 2.183 0.020 . 2 . . . . A 42 GLU HB2 . 30493 1 491 . 1 1 42 42 GLU HB3 H 1 2.169 0.020 . 2 . . . . A 42 GLU HB3 . 30493 1 492 . 1 1 42 42 GLU HG2 H 1 2.530 0.020 . 2 . . . . A 42 GLU HG2 . 30493 1 493 . 1 1 42 42 GLU HG3 H 1 2.429 0.020 . 2 . . . . A 42 GLU HG3 . 30493 1 494 . 1 1 42 42 GLU CA C 13 57.206 0.400 . 1 . . . . A 42 GLU CA . 30493 1 495 . 1 1 42 42 GLU CB C 13 30.473 0.400 . 1 . . . . A 42 GLU CB . 30493 1 496 . 1 1 42 42 GLU CG C 13 36.445 0.400 . 1 . . . . A 42 GLU CG . 30493 1 497 . 1 1 42 42 GLU N N 15 120.340 0.400 . 1 . . . . A 42 GLU N . 30493 1 498 . 1 1 43 43 LYS H H 1 8.323 0.020 . 1 . . . . A 43 LYS H . 30493 1 499 . 1 1 43 43 LYS HA H 1 4.375 0.020 . 1 . . . . A 43 LYS HA . 30493 1 500 . 1 1 43 43 LYS HB2 H 1 1.922 0.020 . 2 . . . . A 43 LYS HB2 . 30493 1 501 . 1 1 43 43 LYS HB3 H 1 1.985 0.020 . 2 . . . . A 43 LYS HB3 . 30493 1 502 . 1 1 43 43 LYS HG2 H 1 1.609 0.020 . 2 . . . . A 43 LYS HG2 . 30493 1 503 . 1 1 43 43 LYS HG3 H 1 1.576 0.020 . 2 . . . . A 43 LYS HG3 . 30493 1 504 . 1 1 43 43 LYS HD2 H 1 1.826 0.020 . 2 . . . . A 43 LYS HD2 . 30493 1 505 . 1 1 43 43 LYS HD3 H 1 1.822 0.020 . 2 . . . . A 43 LYS HD3 . 30493 1 506 . 1 1 43 43 LYS HE2 H 1 3.112 0.020 . 1 . . . . A 43 LYS HE2 . 30493 1 507 . 1 1 43 43 LYS HE3 H 1 3.112 0.020 . 1 . . . . A 43 LYS HE3 . 30493 1 508 . 1 1 43 43 LYS CA C 13 56.903 0.400 . 1 . . . . A 43 LYS CA . 30493 1 509 . 1 1 43 43 LYS CB C 13 33.089 0.400 . 1 . . . . A 43 LYS CB . 30493 1 510 . 1 1 43 43 LYS CG C 13 25.034 0.400 . 1 . . . . A 43 LYS CG . 30493 1 511 . 1 1 43 43 LYS CD C 13 29.429 0.400 . 1 . . . . A 43 LYS CD . 30493 1 512 . 1 1 43 43 LYS CE C 13 42.357 0.400 . 1 . . . . A 43 LYS CE . 30493 1 513 . 1 1 43 43 LYS N N 15 122.426 0.400 . 1 . . . . A 43 LYS N . 30493 1 514 . 1 1 44 44 ALA H H 1 8.392 0.020 . 1 . . . . A 44 ALA H . 30493 1 515 . 1 1 44 44 ALA HA H 1 4.399 0.020 . 1 . . . . A 44 ALA HA . 30493 1 516 . 1 1 44 44 ALA HB1 H 1 1.544 0.020 . 1 . . . . A 44 ALA HB1 . 30493 1 517 . 1 1 44 44 ALA HB2 H 1 1.544 0.020 . 1 . . . . A 44 ALA HB2 . 30493 1 518 . 1 1 44 44 ALA HB3 H 1 1.544 0.020 . 1 . . . . A 44 ALA HB3 . 30493 1 519 . 1 1 44 44 ALA CA C 13 52.934 0.400 . 1 . . . . A 44 ALA CA . 30493 1 520 . 1 1 44 44 ALA CB C 13 19.255 0.400 . 1 . . . . A 44 ALA CB . 30493 1 521 . 1 1 44 44 ALA N N 15 125.529 0.400 . 1 . . . . A 44 ALA N . 30493 1 522 . 1 1 45 45 LYS H H 1 8.447 0.020 . 1 . . . . A 45 LYS H . 30493 1 523 . 1 1 45 45 LYS HA H 1 4.373 0.020 . 1 . . . . A 45 LYS HA . 30493 1 524 . 1 1 45 45 LYS HB2 H 1 1.944 0.020 . 1 . . . . A 45 LYS HB2 . 30493 1 525 . 1 1 45 45 LYS HB3 H 1 1.945 0.020 . 1 . . . . A 45 LYS HB3 . 30493 1 526 . 1 1 45 45 LYS HG2 H 1 1.550 0.020 . 1 . . . . A 45 LYS HG2 . 30493 1 527 . 1 1 45 45 LYS HG3 H 1 1.551 0.020 . 1 . . . . A 45 LYS HG3 . 30493 1 528 . 1 1 45 45 LYS HD2 H 1 1.811 0.020 . 1 . . . . A 45 LYS HD2 . 30493 1 529 . 1 1 45 45 LYS HD3 H 1 1.811 0.020 . 1 . . . . A 45 LYS HD3 . 30493 1 530 . 1 1 45 45 LYS HE2 H 1 3.123 0.020 . 1 . . . . A 45 LYS HE2 . 30493 1 531 . 1 1 45 45 LYS HE3 H 1 3.124 0.020 . 1 . . . . A 45 LYS HE3 . 30493 1 532 . 1 1 45 45 LYS CA C 13 56.967 0.400 . 1 . . . . A 45 LYS CA . 30493 1 533 . 1 1 45 45 LYS CB C 13 32.984 0.400 . 1 . . . . A 45 LYS CB . 30493 1 534 . 1 1 45 45 LYS CG C 13 24.868 0.400 . 1 . . . . A 45 LYS CG . 30493 1 535 . 1 1 45 45 LYS CD C 13 29.525 0.400 . 1 . . . . A 45 LYS CD . 30493 1 536 . 1 1 45 45 LYS CE C 13 42.399 0.400 . 1 . . . . A 45 LYS CE . 30493 1 537 . 1 1 45 45 LYS N N 15 121.367 0.400 . 1 . . . . A 45 LYS N . 30493 1 538 . 1 1 46 46 ASN H H 1 8.546 0.020 . 1 . . . . A 46 ASN H . 30493 1 539 . 1 1 46 46 ASN HA H 1 4.850 0.020 . 1 . . . . A 46 ASN HA . 30493 1 540 . 1 1 46 46 ASN HB2 H 1 3.005 0.020 . 2 . . . . A 46 ASN HB2 . 30493 1 541 . 1 1 46 46 ASN HB3 H 1 2.932 0.020 . 2 . . . . A 46 ASN HB3 . 30493 1 542 . 1 1 46 46 ASN HD21 H 1 7.818 0.020 . 2 . . . . A 46 ASN HD21 . 30493 1 543 . 1 1 46 46 ASN HD22 H 1 7.133 0.020 . 2 . . . . A 46 ASN HD22 . 30493 1 544 . 1 1 46 46 ASN CA C 13 53.387 0.400 . 1 . . . . A 46 ASN CA . 30493 1 545 . 1 1 46 46 ASN CB C 13 38.980 0.400 . 1 . . . . A 46 ASN CB . 30493 1 546 . 1 1 46 46 ASN N N 15 119.609 0.400 . 1 . . . . A 46 ASN N . 30493 1 547 . 1 1 46 46 ASN ND2 N 15 113.697 0.400 . 1 . . . . A 46 ASN ND2 . 30493 1 548 . 1 1 47 47 SER H H 1 8.389 0.020 . 1 . . . . A 47 SER H . 30493 1 549 . 1 1 47 47 SER HA H 1 4.538 0.020 . 1 . . . . A 47 SER HA . 30493 1 550 . 1 1 47 47 SER HB2 H 1 4.038 0.020 . 2 . . . . A 47 SER HB2 . 30493 1 551 . 1 1 47 47 SER HB3 H 1 4.020 0.020 . 2 . . . . A 47 SER HB3 . 30493 1 552 . 1 1 47 47 SER CA C 13 58.852 0.400 . 1 . . . . A 47 SER CA . 30493 1 553 . 1 1 47 47 SER CB C 13 64.131 0.400 . 1 . . . . A 47 SER CB . 30493 1 554 . 1 1 47 47 SER N N 15 117.199 0.400 . 1 . . . . A 47 SER N . 30493 1 555 . 1 1 48 48 LYS H H 1 8.500 0.020 . 1 . . . . A 48 LYS H . 30493 1 556 . 1 1 48 48 LYS HA H 1 4.436 0.020 . 1 . . . . A 48 LYS HA . 30493 1 557 . 1 1 48 48 LYS HB2 H 1 1.977 0.020 . 2 . . . . A 48 LYS HB2 . 30493 1 558 . 1 1 48 48 LYS HB3 H 1 1.857 0.020 . 2 . . . . A 48 LYS HB3 . 30493 1 559 . 1 1 48 48 LYS HG2 H 1 1.581 0.020 . 1 . . . . A 48 LYS HG2 . 30493 1 560 . 1 1 48 48 LYS HG3 H 1 1.580 0.020 . 1 . . . . A 48 LYS HG3 . 30493 1 561 . 1 1 48 48 LYS HD2 H 1 1.812 0.020 . 2 . . . . A 48 LYS HD2 . 30493 1 562 . 1 1 48 48 LYS HD3 H 1 1.809 0.020 . 2 . . . . A 48 LYS HD3 . 30493 1 563 . 1 1 48 48 LYS HE2 H 1 3.123 0.020 . 1 . . . . A 48 LYS HE2 . 30493 1 564 . 1 1 48 48 LYS HE3 H 1 3.124 0.020 . 1 . . . . A 48 LYS HE3 . 30493 1 565 . 1 1 48 48 LYS CA C 13 56.793 0.400 . 1 . . . . A 48 LYS CA . 30493 1 566 . 1 1 48 48 LYS CB C 13 33.389 0.400 . 1 . . . . A 48 LYS CB . 30493 1 567 . 1 1 48 48 LYS CG C 13 25.230 0.400 . 1 . . . . A 48 LYS CG . 30493 1 568 . 1 1 48 48 LYS CD C 13 29.163 0.400 . 1 . . . . A 48 LYS CD . 30493 1 569 . 1 1 48 48 LYS CE C 13 42.240 0.400 . 1 . . . . A 48 LYS CE . 30493 1 570 . 1 1 48 48 LYS N N 15 123.867 0.400 . 1 . . . . A 48 LYS N . 30493 1 571 . 1 1 49 49 LYS H H 1 8.383 0.020 . 1 . . . . A 49 LYS H . 30493 1 572 . 1 1 49 49 LYS HA H 1 4.402 0.020 . 1 . . . . A 49 LYS HA . 30493 1 573 . 1 1 49 49 LYS HB2 H 1 1.871 0.020 . 2 . . . . A 49 LYS HB2 . 30493 1 574 . 1 1 49 49 LYS HB3 H 1 1.929 0.020 . 2 . . . . A 49 LYS HB3 . 30493 1 575 . 1 1 49 49 LYS HG2 H 1 1.565 0.020 . 1 . . . . A 49 LYS HG2 . 30493 1 576 . 1 1 49 49 LYS HG3 H 1 1.565 0.020 . 1 . . . . A 49 LYS HG3 . 30493 1 577 . 1 1 49 49 LYS HD2 H 1 1.811 0.020 . 1 . . . . A 49 LYS HD2 . 30493 1 578 . 1 1 49 49 LYS HD3 H 1 1.811 0.020 . 1 . . . . A 49 LYS HD3 . 30493 1 579 . 1 1 49 49 LYS HE2 H 1 3.124 0.020 . 2 . . . . A 49 LYS HE2 . 30493 1 580 . 1 1 49 49 LYS HE3 H 1 3.120 0.020 . 2 . . . . A 49 LYS HE3 . 30493 1 581 . 1 1 49 49 LYS CA C 13 56.742 0.400 . 1 . . . . A 49 LYS CA . 30493 1 582 . 1 1 49 49 LYS CB C 13 33.172 0.400 . 1 . . . . A 49 LYS CB . 30493 1 583 . 1 1 49 49 LYS CG C 13 24.935 0.400 . 1 . . . . A 49 LYS CG . 30493 1 584 . 1 1 49 49 LYS CD C 13 29.278 0.400 . 1 . . . . A 49 LYS CD . 30493 1 585 . 1 1 49 49 LYS CE C 13 42.393 0.400 . 1 . . . . A 49 LYS CE . 30493 1 586 . 1 1 49 49 LYS N N 15 123.149 0.400 . 1 . . . . A 49 LYS N . 30493 1 587 . 1 1 50 50 ALA H H 1 8.515 0.020 . 1 . . . . A 50 ALA H . 30493 1 588 . 1 1 50 50 ALA HA H 1 4.420 0.020 . 1 . . . . A 50 ALA HA . 30493 1 589 . 1 1 50 50 ALA HB1 H 1 1.515 0.020 . 1 . . . . A 50 ALA HB1 . 30493 1 590 . 1 1 50 50 ALA HB2 H 1 1.515 0.020 . 1 . . . . A 50 ALA HB2 . 30493 1 591 . 1 1 50 50 ALA HB3 H 1 1.515 0.020 . 1 . . . . A 50 ALA HB3 . 30493 1 592 . 1 1 50 50 ALA CA C 13 52.893 0.400 . 1 . . . . A 50 ALA CA . 30493 1 593 . 1 1 50 50 ALA CB C 13 19.396 0.400 . 1 . . . . A 50 ALA CB . 30493 1 594 . 1 1 50 50 ALA N N 15 126.568 0.400 . 1 . . . . A 50 ALA N . 30493 1 595 . 1 1 51 51 ILE H H 1 8.262 0.020 . 1 . . . . A 51 ILE H . 30493 1 596 . 1 1 51 51 ILE HA H 1 4.203 0.020 . 1 . . . . A 51 ILE HA . 30493 1 597 . 1 1 51 51 ILE HB H 1 1.949 0.020 . 1 . . . . A 51 ILE HB . 30493 1 598 . 1 1 51 51 ILE HG12 H 1 1.592 0.020 . 2 . . . . A 51 ILE HG12 . 30493 1 599 . 1 1 51 51 ILE HG13 H 1 1.302 0.020 . 2 . . . . A 51 ILE HG13 . 30493 1 600 . 1 1 51 51 ILE HG21 H 1 1.004 0.020 . 1 . . . . A 51 ILE HG21 . 30493 1 601 . 1 1 51 51 ILE HG22 H 1 1.004 0.020 . 1 . . . . A 51 ILE HG22 . 30493 1 602 . 1 1 51 51 ILE HG23 H 1 1.004 0.020 . 1 . . . . A 51 ILE HG23 . 30493 1 603 . 1 1 51 51 ILE HD11 H 1 0.978 0.020 . 1 . . . . A 51 ILE HD11 . 30493 1 604 . 1 1 51 51 ILE HD12 H 1 0.978 0.020 . 1 . . . . A 51 ILE HD12 . 30493 1 605 . 1 1 51 51 ILE HD13 H 1 0.978 0.020 . 1 . . . . A 51 ILE HD13 . 30493 1 606 . 1 1 51 51 ILE CA C 13 61.637 0.400 . 1 . . . . A 51 ILE CA . 30493 1 607 . 1 1 51 51 ILE CB C 13 38.849 0.400 . 1 . . . . A 51 ILE CB . 30493 1 608 . 1 1 51 51 ILE CG1 C 13 27.726 0.400 . 1 . . . . A 51 ILE CG1 . 30493 1 609 . 1 1 51 51 ILE CG2 C 13 17.648 0.400 . 1 . . . . A 51 ILE CG2 . 30493 1 610 . 1 1 51 51 ILE CD1 C 13 13.205 0.400 . 1 . . . . A 51 ILE CD1 . 30493 1 611 . 1 1 51 51 ILE N N 15 120.799 0.400 . 1 . . . . A 51 ILE N . 30493 1 612 . 1 1 52 52 GLU H H 1 8.661 0.020 . 1 . . . . A 52 GLU H . 30493 1 613 . 1 1 52 52 GLU HA H 1 4.417 0.020 . 1 . . . . A 52 GLU HA . 30493 1 614 . 1 1 52 52 GLU HB2 H 1 2.173 0.020 . 2 . . . . A 52 GLU HB2 . 30493 1 615 . 1 1 52 52 GLU HB3 H 1 2.060 0.020 . 2 . . . . A 52 GLU HB3 . 30493 1 616 . 1 1 52 52 GLU CA C 13 56.826 0.400 . 1 . . . . A 52 GLU CA . 30493 1 617 . 1 1 52 52 GLU CB C 13 30.429 0.400 . 1 . . . . A 52 GLU CB . 30493 1 618 . 1 1 52 52 GLU N N 15 125.334 0.400 . 1 . . . . A 52 GLU N . 30493 1 619 . 1 1 53 53 ASP H H 1 8.472 0.020 . 1 . . . . A 53 ASP H . 30493 1 620 . 1 1 53 53 ASP HA H 1 4.705 0.020 . 1 . . . . A 53 ASP HA . 30493 1 621 . 1 1 53 53 ASP HB2 H 1 2.798 0.020 . 1 . . . . A 53 ASP HB2 . 30493 1 622 . 1 1 53 53 ASP CA C 13 54.786 0.400 . 1 . . . . A 53 ASP CA . 30493 1 623 . 1 1 53 53 ASP CB C 13 41.437 0.400 . 1 . . . . A 53 ASP CB . 30493 1 624 . 1 1 53 53 ASP N N 15 122.576 0.400 . 1 . . . . A 53 ASP N . 30493 1 625 . 1 1 54 54 GLY H H 1 8.469 0.020 . 1 . . . . A 54 GLY H . 30493 1 626 . 1 1 54 54 GLY HA2 H 1 4.057 0.020 . 1 . . . . A 54 GLY HA2 . 30493 1 627 . 1 1 54 54 GLY HA3 H 1 4.057 0.020 . 1 . . . . A 54 GLY HA3 . 30493 1 628 . 1 1 54 54 GLY CA C 13 45.477 0.400 . 1 . . . . A 54 GLY CA . 30493 1 629 . 1 1 54 54 GLY N N 15 109.757 0.400 . 1 . . . . A 54 GLY N . 30493 1 630 . 1 1 55 55 VAL H H 1 8.111 0.020 . 1 . . . . A 55 VAL H . 30493 1 631 . 1 1 55 55 VAL HA H 1 4.504 0.020 . 1 . . . . A 55 VAL HA . 30493 1 632 . 1 1 55 55 VAL HB H 1 2.174 0.020 . 1 . . . . A 55 VAL HB . 30493 1 633 . 1 1 55 55 VAL HG11 H 1 1.071 0.020 . 2 . . . . A 55 VAL HG11 . 30493 1 634 . 1 1 55 55 VAL HG12 H 1 1.071 0.020 . 2 . . . . A 55 VAL HG12 . 30493 1 635 . 1 1 55 55 VAL HG13 H 1 1.071 0.020 . 2 . . . . A 55 VAL HG13 . 30493 1 636 . 1 1 55 55 VAL HG21 H 1 1.021 0.020 . 2 . . . . A 55 VAL HG21 . 30493 1 637 . 1 1 55 55 VAL HG22 H 1 1.021 0.020 . 2 . . . . A 55 VAL HG22 . 30493 1 638 . 1 1 55 55 VAL HG23 H 1 1.021 0.020 . 2 . . . . A 55 VAL HG23 . 30493 1 639 . 1 1 55 55 VAL CA C 13 60.048 0.400 . 1 . . . . A 55 VAL CA . 30493 1 640 . 1 1 55 55 VAL CB C 13 32.695 0.400 . 1 . . . . A 55 VAL CB . 30493 1 641 . 1 1 55 55 VAL CG1 C 13 21.111 0.400 . 1 . . . . A 55 VAL CG1 . 30493 1 642 . 1 1 55 55 VAL CG2 C 13 20.746 0.400 . 1 . . . . A 55 VAL CG2 . 30493 1 643 . 1 1 55 55 VAL N N 15 121.904 0.400 . 1 . . . . A 55 VAL N . 30493 1 644 . 1 1 56 56 PRO HA H 1 4.523 0.020 . 1 . . . . A 56 PRO HA . 30493 1 645 . 1 1 56 56 PRO HB2 H 1 2.389 0.020 . 2 . . . . A 56 PRO HB2 . 30493 1 646 . 1 1 56 56 PRO HB3 H 1 1.971 0.020 . 2 . . . . A 56 PRO HB3 . 30493 1 647 . 1 1 56 56 PRO HG2 H 1 2.134 0.020 . 2 . . . . A 56 PRO HG2 . 30493 1 648 . 1 1 56 56 PRO HG3 H 1 2.089 0.020 . 2 . . . . A 56 PRO HG3 . 30493 1 649 . 1 1 56 56 PRO HD2 H 1 4.008 0.020 . 2 . . . . A 56 PRO HD2 . 30493 1 650 . 1 1 56 56 PRO HD3 H 1 3.766 0.020 . 2 . . . . A 56 PRO HD3 . 30493 1 651 . 1 1 56 56 PRO CA C 13 63.339 0.400 . 1 . . . . A 56 PRO CA . 30493 1 652 . 1 1 56 56 PRO CB C 13 32.390 0.400 . 1 . . . . A 56 PRO CB . 30493 1 653 . 1 1 56 56 PRO CG C 13 27.652 0.400 . 1 . . . . A 56 PRO CG . 30493 1 654 . 1 1 56 56 PRO CD C 13 51.227 0.400 . 1 . . . . A 56 PRO CD . 30493 1 655 . 1 1 57 57 GLN H H 1 8.675 0.020 . 1 . . . . A 57 GLN H . 30493 1 656 . 1 1 57 57 GLN HA H 1 4.710 0.020 . 1 . . . . A 57 GLN HA . 30493 1 657 . 1 1 57 57 GLN HB2 H 1 2.250 0.020 . 2 . . . . A 57 GLN HB2 . 30493 1 658 . 1 1 57 57 GLN HB3 H 1 2.013 0.020 . 2 . . . . A 57 GLN HB3 . 30493 1 659 . 1 1 57 57 GLN HG2 H 1 2.548 0.020 . 1 . . . . A 57 GLN HG2 . 30493 1 660 . 1 1 57 57 GLN HG3 H 1 2.548 0.020 . 1 . . . . A 57 GLN HG3 . 30493 1 661 . 1 1 57 57 GLN HE21 H 1 7.750 0.020 . 2 . . . . A 57 GLN HE21 . 30493 1 662 . 1 1 57 57 GLN HE22 H 1 7.054 0.020 . 2 . . . . A 57 GLN HE22 . 30493 1 663 . 1 1 57 57 GLN CA C 13 53.745 0.400 . 1 . . . . A 57 GLN CA . 30493 1 664 . 1 1 57 57 GLN CB C 13 29.061 0.400 . 1 . . . . A 57 GLN CB . 30493 1 665 . 1 1 57 57 GLN CG C 13 33.652 0.400 . 1 . . . . A 57 GLN CG . 30493 1 666 . 1 1 57 57 GLN N N 15 122.484 0.400 . 1 . . . . A 57 GLN N . 30493 1 667 . 1 1 57 57 GLN NE2 N 15 113.999 0.400 . 1 . . . . A 57 GLN NE2 . 30493 1 668 . 1 1 58 58 PRO HA H 1 4.481 0.020 . 1 . . . . A 58 PRO HA . 30493 1 669 . 1 1 58 58 PRO HB2 H 1 2.405 0.020 . 2 . . . . A 58 PRO HB2 . 30493 1 670 . 1 1 58 58 PRO HB3 H 1 2.010 0.020 . 2 . . . . A 58 PRO HB3 . 30493 1 671 . 1 1 58 58 PRO HG2 H 1 2.140 0.020 . 2 . . . . A 58 PRO HG2 . 30493 1 672 . 1 1 58 58 PRO HG3 H 1 2.101 0.020 . 2 . . . . A 58 PRO HG3 . 30493 1 673 . 1 1 58 58 PRO HD2 H 1 3.901 0.020 . 2 . . . . A 58 PRO HD2 . 30493 1 674 . 1 1 58 58 PRO HD3 H 1 3.784 0.020 . 2 . . . . A 58 PRO HD3 . 30493 1 675 . 1 1 58 58 PRO CA C 13 63.619 0.400 . 1 . . . . A 58 PRO CA . 30493 1 676 . 1 1 58 58 PRO CB C 13 32.119 0.400 . 1 . . . . A 58 PRO CB . 30493 1 677 . 1 1 58 58 PRO CG C 13 27.679 0.400 . 1 . . . . A 58 PRO CG . 30493 1 678 . 1 1 58 58 PRO CD C 13 50.830 0.400 . 1 . . . . A 58 PRO CD . 30493 1 679 . 1 1 59 59 GLU H H 1 8.758 0.020 . 1 . . . . A 59 GLU H . 30493 1 680 . 1 1 59 59 GLU HA H 1 4.334 0.020 . 1 . . . . A 59 GLU HA . 30493 1 681 . 1 1 59 59 GLU HB2 H 1 2.148 0.020 . 2 . . . . A 59 GLU HB2 . 30493 1 682 . 1 1 59 59 GLU HB3 H 1 2.052 0.020 . 2 . . . . A 59 GLU HB3 . 30493 1 683 . 1 1 59 59 GLU HG2 H 1 2.392 0.020 . 2 . . . . A 59 GLU HG2 . 30493 1 684 . 1 1 59 59 GLU HG3 H 1 2.405 0.020 . 2 . . . . A 59 GLU HG3 . 30493 1 685 . 1 1 59 59 GLU CA C 13 56.972 0.400 . 1 . . . . A 59 GLU CA . 30493 1 686 . 1 1 59 59 GLU CB C 13 30.461 0.400 . 1 . . . . A 59 GLU CB . 30493 1 687 . 1 1 59 59 GLU CG C 13 36.497 0.400 . 1 . . . . A 59 GLU CG . 30493 1 688 . 1 1 59 59 GLU N N 15 121.689 0.400 . 1 . . . . A 59 GLU N . 30493 1 689 . 1 1 60 60 ALA H H 1 8.425 0.020 . 1 . . . . A 60 ALA H . 30493 1 690 . 1 1 60 60 ALA HA H 1 4.403 0.020 . 1 . . . . A 60 ALA HA . 30493 1 691 . 1 1 60 60 ALA HB1 H 1 1.496 0.020 . 1 . . . . A 60 ALA HB1 . 30493 1 692 . 1 1 60 60 ALA HB2 H 1 1.496 0.020 . 1 . . . . A 60 ALA HB2 . 30493 1 693 . 1 1 60 60 ALA HB3 H 1 1.496 0.020 . 1 . . . . A 60 ALA HB3 . 30493 1 694 . 1 1 60 60 ALA CA C 13 52.676 0.400 . 1 . . . . A 60 ALA CA . 30493 1 695 . 1 1 60 60 ALA CB C 13 19.416 0.400 . 1 . . . . A 60 ALA CB . 30493 1 696 . 1 1 60 60 ALA N N 15 125.534 0.400 . 1 . . . . A 60 ALA N . 30493 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 30493 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H 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 #INAME 1 13C #INAME 2 1H #INAME 3 1H 2 134.896 6.951 7.277 1 U -9.088e+04 0.00e+00 m 0 170 181 182 0 3 120.145 7.272 6.951 1 U -1.049e+05 0.00e+00 m 0 172 182 181 0 4 120.141 6.951 6.951 1 U -3.738e+05 0.00e+00 m 0 172 181 181 0 5 120.089 2.120 6.949 1 U -1.500e+04 0.00e+00 m 0 0 0 0 0 6 120.089 4.218 6.942 1 U -9.725e+03 0.00e+00 m 0 0 0 0 0 7 120.089 4.994 6.942 1 U -8.248e+03 0.00e+00 m 0 0 0 0 0 8 134.908 9.132 7.279 1 U -4.277e+03 0.00e+00 m 0 170 162 182 0 9 135.013 9.191 7.073 1 U -4.949e+03 0.00e+00 m 0 512 504 524 0 10 135.030 7.073 7.075 1 U -7.744e+04 0.00e+00 m 0 512 524 524 0 11 135.027 8.434 7.085 1 U -5.479e+03 0.00e+00 m 0 0 0 0 0 12 135.057 4.224 7.085 1 U -8.623e+03 0.00e+00 m 0 0 0 0 0 13 135.059 3.974 7.086 1 U -9.913e+03 0.00e+00 m 0 0 0 0 0 14 135.028 3.373 7.088 1 U -7.771e+03 0.00e+00 m 0 0 0 0 0 15 134.991 2.516 7.084 1 U -7.158e+03 0.00e+00 m 0 0 0 0 0 16 135.054 2.092 7.087 1 U -6.058e+03 0.00e+00 m 0 0 0 0 0 17 135.058 1.594 7.087 1 U -1.088e+04 0.00e+00 m 0 0 0 0 0 18 135.003 1.270 7.084 1 U -4.249e+03 0.00e+00 m 0 0 0 0 0 19 135.043 1.013 7.087 1 U -1.326e+04 0.00e+00 m 0 0 0 0 0 20 135.042 0.440 7.085 1 U -5.535e+03 0.00e+00 m 0 0 0 0 0 21 134.892 8.778 7.276 1 U -3.573e+03 0.00e+00 m 0 0 0 0 0 22 134.891 8.360 7.279 1 U -2.096e+03 0.00e+00 m 0 0 0 0 0 23 134.897 4.201 7.277 1 U -2.378e+04 0.00e+00 m 0 0 0 0 0 24 134.902 3.364 7.277 1 U -1.968e+04 0.00e+00 m 0 0 0 0 0 25 134.909 3.178 7.277 1 U -2.375e+04 0.00e+00 m 0 0 0 0 0 26 134.883 1.593 7.278 1 U -1.228e+04 0.00e+00 m 0 0 0 0 0 27 134.895 2.077 7.277 1 U -1.043e+04 0.00e+00 m 0 0 0 0 0 28 134.887 1.044 7.279 1 U -4.147e+03 0.00e+00 m 0 0 0 0 0 29 120.141 3.370 6.947 1 U -7.089e+03 0.00e+00 m 0 0 0 0 0 30 120.375 1.000 6.920 1 U -4.075e+04 0.00e+00 m 0 0 0 0 0 31 120.375 1.565 6.918 1 U -1.813e+04 0.00e+00 m 0 0 0 0 0 32 120.375 1.742 6.918 1 U -2.352e+04 0.00e+00 m 0 0 0 0 0 33 120.375 3.377 6.921 1 U -6.725e+03 0.00e+00 m 0 0 0 0 0 34 120.375 3.084 6.921 1 U -1.186e+04 0.00e+00 m 0 0 0 0 0 35 120.375 0.762 6.918 1 U -8.930e+03 0.00e+00 m 0 0 0 0 0 36 120.375 0.448 6.916 1 U -9.532e+03 0.00e+00 m 0 0 0 0 0 37 120.375 2.103 6.915 1 U -2.773e+04 0.00e+00 m 0 0 0 0 0 38 120.371 4.015 6.922 1 U -9.850e+03 0.00e+00 m 0 0 0 0 0 39 120.375 6.918 6.915 1 U -4.988e+05 0.00e+00 m 0 514 523 523 0 40 120.375 7.073 6.916 1 U -3.322e+04 0.00e+00 m 0 514 524 523 0 41 120.375 8.485 6.915 1 U -5.784e+03 0.00e+00 m 0 0 0 0 0 42 120.141 1.007 6.949 1 U -6.524e+03 0.00e+00 m 0 0 0 0 0 43 133.795 8.490 7.419 1 U -4.664e+03 0.00e+00 m 0 402 394 413 0 44 133.746 9.197 7.429 1 U -2.996e+03 0.00e+00 m 0 0 0 0 0 45 133.738 7.419 7.419 1 U -2.363e+05 0.00e+00 m 0 402 413 413 0 46 133.773 4.507 7.428 1 U -8.680e+03 0.00e+00 m 0 0 0 0 0 47 133.765 3.551 7.428 1 U -9.884e+03 0.00e+00 m 0 0 0 0 0 48 133.709 2.480 7.429 1 U -3.573e+03 0.00e+00 m 0 0 0 0 0 49 133.738 1.865 7.429 1 U -5.326e+03 0.00e+00 m 0 0 0 0 0 50 133.738 1.245 7.429 1 U -5.688e+03 0.00e+00 m 0 0 0 0 0 51 133.738 2.090 7.427 1 U -3.851e+03 0.00e+00 m 0 0 0 0 0 52 133.732 3.550 7.501 1 U -4.436e+03 0.00e+00 m 0 0 0 0 0 53 133.738 1.245 7.502 1 U -3.732e+03 0.00e+00 m 0 0 0 0 0 54 133.738 1.865 7.505 1 U -3.257e+03 0.00e+00 m 0 0 0 0 0 55 133.738 2.083 7.500 1 U -1.490e+03 0.00e+00 m 0 0 0 0 0 56 133.738 2.485 7.507 1 U -1.217e+03 0.00e+00 m 0 0 0 0 0 57 133.738 7.426 7.495 1 U -1.451e+05 0.00e+00 m 0 404 414 414 0 58 131.862 7.417 7.414 1 U -2.026e+05 0.00e+00 m 0 406 407 407 0 59 120.184 4.214 6.947 1 U -9.725e+03 0.00e+00 m 0 0 0 0 0 60 120.184 3.166 6.947 1 U -9.487e+03 0.00e+00 m 0 0 0 0 0 61 120.184 2.042 6.952 1 U -1.477e+04 0.00e+00 m 0 0 0 0 0 62 120.184 1.579 6.949 1 U -6.668e+03 0.00e+00 m 0 0 0 0 0 63 135.047 3.077 7.086 1 U -7.953e+03 0.00e+00 m 0 0 0 0 0 64 131.802 2.082 7.427 1 U -3.478e+03 0.00e+00 m 0 0 0 0 0 65 131.862 2.075 7.426 1 U -3.265e+03 0.00e+00 m 0 0 0 0 0 66 134.908 8.788 7.279 1 U -3.573e+03 0.00e+00 m 0 170 0 182 0 67 134.908 7.275 7.279 1 U -3.887e+05 0.00e+00 m 0 170 0 182 0 68 134.896 4.517 7.277 1 U -2.815e+03 0.00e+00 m 0 170 0 182 0 69 134.896 4.210 7.277 1 U -1.659e+04 0.00e+00 m 0 170 0 182 0 70 134.896 3.371 7.277 1 U -1.968e+04 0.00e+00 m 0 170 0 182 0 71 134.896 3.171 7.277 1 U -2.375e+04 0.00e+00 m 0 170 0 182 0 72 134.896 1.573 7.277 1 U -1.228e+04 0.00e+00 m 0 170 0 182 0 73 134.896 2.039 7.277 1 U -1.187e+04 0.00e+00 m 0 170 0 182 0 74 134.896 0.974 7.277 1 U -5.463e+03 0.00e+00 m 0 170 0 182 0 75 120.145 4.224 6.951 1 U -4.448e+03 0.00e+00 m 0 172 0 181 0 76 120.145 3.373 6.951 1 U -2.711e+03 0.00e+00 m 0 172 0 181 0 77 120.145 3.171 6.951 1 U -6.058e+03 0.00e+00 m 0 172 0 181 0 78 120.145 2.053 6.951 1 U -1.477e+04 0.00e+00 m 0 172 0 181 0 79 120.145 1.587 6.951 1 U -6.668e+03 0.00e+00 m 0 172 0 181 0 80 120.145 0.987 6.951 1 U -6.524e+03 0.00e+00 m 0 172 0 181 0 81 133.795 9.211 7.419 1 U -4.874e+03 0.00e+00 m 0 402 0 413 0 82 133.738 4.493 7.419 1 U -1.420e+04 0.00e+00 m 0 402 0 413 0 83 133.738 4.003 7.419 1 U -4.487e+03 0.00e+00 m 0 402 0 413 0 84 133.738 3.555 7.419 1 U -1.534e+04 0.00e+00 m 0 402 0 413 0 85 133.738 2.414 7.419 1 U -6.347e+03 0.00e+00 m 0 402 0 413 0 86 133.738 2.094 7.419 1 U -6.218e+03 0.00e+00 m 0 402 0 413 0 87 133.738 1.859 7.419 1 U -8.544e+03 0.00e+00 m 0 402 0 413 0 88 133.738 1.742 7.419 1 U -8.101e+03 0.00e+00 m 0 402 0 413 0 89 133.738 4.483 7.495 1 U -3.361e+03 0.00e+00 m 0 404 0 414 0 90 133.738 3.534 7.495 1 U -5.889e+03 0.00e+00 m 0 404 0 414 0 91 133.738 1.753 7.495 1 U -2.791e+03 0.00e+00 m 0 404 0 414 0 92 131.862 2.094 7.417 1 U -4.823e+03 0.00e+00 m 0 406 0 407 0 93 131.862 1.870 7.417 1 U -4.175e+03 0.00e+00 m 0 406 0 407 0 94 133.738 1.199 7.419 1 U -1.032e+04 0.00e+00 m 0 402 0 413 0 95 133.738 1.199 7.495 1 U -4.186e+03 0.00e+00 m 0 404 0 414 0 96 131.862 1.199 7.417 1 U -2.972e+03 0.00e+00 m 0 406 0 407 0 97 135.030 6.920 7.075 1 U -6.072e+04 0.00e+00 m 0 512 0 524 0 98 135.030 4.181 7.075 1 U -1.395e+04 0.00e+00 m 0 512 0 524 0 99 135.030 3.933 7.075 1 U -1.468e+04 0.00e+00 m 0 512 0 524 0 100 135.030 3.319 7.075 1 U -1.170e+04 0.00e+00 m 0 512 0 524 0 101 135.030 3.023 7.075 1 U -1.149e+04 0.00e+00 m 0 512 0 524 0 102 120.375 4.181 6.916 1 U -1.346e+04 0.00e+00 m 0 514 0 523 0 103 120.375 3.933 6.916 1 U -1.142e+04 0.00e+00 m 0 514 0 523 0 104 120.375 3.319 6.916 1 U -7.362e+03 0.00e+00 m 0 514 0 523 0 105 120.375 3.023 6.916 1 U -1.232e+04 0.00e+00 m 0 514 0 523 0 107 135.030 0.431 7.075 1 U -7.794e+03 0.00e+00 m 0 512 0 524 0 110 135.030 0.750 7.075 1 U -7.964e+03 0.00e+00 m 0 512 0 524 0 111 135.030 0.979 7.075 6 U -2.561e+04 0.00e+00 m 0 512 0 524 0 114 135.030 1.241 7.075 1 U -6.620e+03 0.00e+00 m 0 512 0 524 0 115 135.030 1.536 7.075 1 U -1.500e+04 0.00e+00 m 0 512 0 524 0 116 135.030 2.046 7.075 1 U -9.759e+03 0.00e+00 m 0 512 0 524 0 117 135.030 2.451 7.075 1 U -7.760e+03 0.00e+00 m 0 512 0 524 0 118 120.375 2.451 6.916 1 U -4.186e+03 0.00e+00 m 0 514 0 523 0 119 120.375 2.051 6.916 1 U -2.986e+04 0.00e+00 m 0 514 0 523 0 120 120.375 1.536 6.916 1 U -1.813e+04 0.00e+00 m 0 514 0 523 0 121 120.375 1.694 6.916 1 U -2.497e+04 0.00e+00 m 0 514 0 523 0 122 120.375 0.984 6.916 6 U -4.075e+04 0.00e+00 m 0 514 0 523 0 123 120.375 0.755 6.916 1 U -8.930e+03 0.00e+00 m 0 514 0 523 0 124 120.375 0.431 6.916 1 U -9.532e+03 0.00e+00 m 0 514 0 523 0 125 135.030 8.383 7.075 1 U -9.759e+03 0.00e+00 m 0 512 0 524 0 126 120.375 8.383 6.915 1 U -7.430e+03 0.00e+00 m 0 514 0 523 0 127 135.030 1.705 7.075 1 U -1.068e+04 0.00e+00 m 0 512 0 524 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 14 ppm . . . 4.81 . . 30493 1 2 . . N 15 N . . 31 ppm . . . 118 . . 30493 1 3 . . H 1 HN . . 14 ppm . . . 4.81 . . 30493 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30493 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 13C #INAME 2 1H #INAME 3 1H #CYANAFORMAT ChH 2885 26.697 3.905 0.951 9 U 3.209e+03 0.00e+00 m 0 290 0 285 0 2886 23.419 3.909 1.038 9 U 2.896e+03 0.00e+00 m 0 286 0 284 0 2888 26.697 4.134 0.951 9 U 3.766e+03 0.00e+00 m 0 290 0 285 0 2889 23.419 4.140 1.038 9 U 3.494e+03 0.00e+00 m 0 286 0 284 0 2891 23.419 1.247 1.038 9 U 1.441e+04 0.00e+00 m 0 286 0 284 0 2892 23.419 1.330 1.038 9 U 7.964e+03 0.00e+00 m 0 286 0 284 0 2893 26.697 1.247 0.951 9 U 3.561e+03 0.00e+00 m 0 290 0 285 0 2894 26.697 1.324 0.951 9 U 4.772e+03 0.00e+00 m 0 290 0 285 0 2898 23.419 1.612 1.038 9 U 2.847e+03 0.00e+00 m 0 286 0 284 0 2899 26.697 1.618 0.951 9 U 1.682e+04 0.00e+00 m 0 290 0 285 0 2956 26.861 8.700 0.717 9 U 1.251e+03 0.00e+00 m 0 373 0 371 0 2963 26.861 7.074 0.717 9 U 1.628e+03 0.00e+00 m 0 373 0 371 0 2964 24.511 7.074 0.434 9 U 3.686e+03 0.00e+00 m 0 377 0 372 0 2965 24.511 6.899 0.434 9 U 4.118e+03 0.00e+00 m 0 377 0 372 0 2966 26.861 6.902 0.717 9 U 2.116e+03 0.00e+00 m 0 373 0 371 0 2970 26.861 4.221 0.717 9 U 2.787e+03 0.00e+00 m 0 373 0 371 0 2971 26.861 3.945 0.717 9 U 5.351e+03 0.00e+00 m 0 373 0 371 0 2972 24.511 3.942 0.434 9 U 5.495e+03 0.00e+00 m 0 377 0 372 0 2973 24.511 4.221 0.434 9 U 5.182e+03 0.00e+00 m 0 377 0 372 0 2984 26.861 1.003 0.717 9 U 2.217e+04 0.00e+00 m 0 373 0 371 0 2985 26.861 1.250 0.717 9 U 3.931e+03 0.00e+00 m 0 373 0 371 0 2986 24.511 1.003 0.434 9 U 2.468e+04 0.00e+00 m 0 377 0 372 0 2987 24.511 1.250 0.434 9 U 9.191e+03 0.00e+00 m 0 377 0 372 0 2988 26.861 1.317 0.717 9 U 2.033e+03 0.00e+00 m 0 373 0 371 0 2989 24.511 1.320 0.434 9 U 3.982e+03 0.00e+00 m 0 377 0 372 0 3022 23.348 4.185 1.238 9 U 2.574e+03 0.00e+00 m 0 428 0 426 0 3023 26.890 4.185 1.026 9 U 1.640e+03 0.00e+00 m 0 432 0 427 0 3024 23.348 2.114 1.238 9 U 4.459e+03 0.00e+00 m 0 428 0 426 0 3028 26.890 2.109 1.026 9 U 2.280e+03 0.00e+00 m 0 432 0 427 0 3036 23.348 3.102 1.238 9 U 2.916e+03 0.00e+00 m 0 428 0 426 0 3037 26.890 3.102 1.026 9 U 2.082e+03 0.00e+00 m 0 432 0 427 0 3039 23.348 7.422 1.238 9 U 5.182e+03 0.00e+00 m 0 428 0 426 0 3044 26.890 7.422 1.026 9 U 1.153e+03 0.00e+00 m 0 432 0 427 0 3045 26.890 7.487 1.026 9 U 1.052e+03 0.00e+00 m 0 432 0 427 0 3046 23.348 7.487 1.238 9 U 3.902e+03 0.00e+00 m 0 428 0 426 0 3108 63.089 1.027 3.898 9 U 2.445e+03 0.00e+00 m 0 505 0 506 0 3142 25.847 0.720 1.000 9 U 6.749e+03 0.00e+00 m 0 591 0 586 0 3143 24.092 0.720 0.951 9 U 8.703e+03 0.00e+00 m 0 587 0 585 0 3153 24.092 7.067 0.951 9 U 4.703e+03 0.00e+00 m 0 587 0 585 0 3155 25.847 7.067 1.000 9 U 5.423e+03 0.00e+00 m 0 591 0 586 0 3156 24.092 6.908 0.951 9 U 4.845e+03 0.00e+00 m 0 587 0 585 0 3157 25.847 6.901 1.000 9 U 7.498e+03 0.00e+00 m 0 591 0 586 0 3195 25.534 3.948 0.993 9 U 9.282e+03 0.00e+00 m 0 645 0 643 0 3196 24.840 3.944 0.985 9 U 5.624e+03 0.00e+00 m 0 649 0 644 0 3199 25.534 0.719 0.993 9 U 1.268e+04 0.00e+00 m 0 645 0 643 0 3200 25.534 0.416 0.993 9 U 3.885e+03 0.00e+00 m 0 645 0 643 0 3201 24.840 1.332 0.985 9 U 5.222e+03 0.00e+00 m 0 649 0 644 0 3202 24.840 0.715 0.985 9 U 7.942e+03 0.00e+00 m 0 649 0 644 0 3203 24.840 0.419 0.985 9 U 3.386e+03 0.00e+00 m 0 649 0 644 0 3204 25.534 1.321 0.993 9 U 8.873e+03 0.00e+00 m 0 645 0 643 0 3205 25.534 1.509 0.993 9 U 9.044e+03 0.00e+00 m 0 645 0 643 0 3390 58.185 0.432 3.952 9 U 1.036e+03 0.00e+00 m 0 577 0 578 0 3391 41.913 0.436 1.776 9 U 1.066e+03 0.00e+00 m 0 579 0 580 0 3392 41.913 0.722 1.776 9 U 1.114e+03 0.00e+00 m 0 579 0 580 0 3395 25.534 3.086 0.993 9 U 3.020e+03 0.00e+00 m 0 645 0 643 0 3396 24.840 3.082 0.985 9 U 1.945e+03 0.00e+00 m 0 649 0 644 0 3399 23.398 3.909 1.238 9 U 2.084e+03 0.00e+00 m 0 428 0 426 0 3400 26.890 3.909 1.026 9 U 1.886e+03 0.00e+00 m 0 432 0 427 0 3401 24.102 2.118 0.953 9 U 6.644e+03 0.00e+00 m 0 141 0 139 0 3412 19.078 8.683 1.635 9 U 2.875e+03 0.00e+00 m 0 704 0 703 0 3418 53.823 2.000 4.418 9 U 2.578e+03 0.00e+00 m 0 701 0 702 0 3424 19.078 2.002 1.635 9 U 5.728e+03 0.00e+00 m 0 704 0 703 0 3428 27.290 3.953 2.048 9 U 1.470e+03 0.00e+00 m 0 282 0 283 0 3433 23.419 2.123 1.038 9 U 1.048e+04 0.00e+00 m 0 286 0 284 0 3436 23.419 1.775 1.038 9 U 6.733e+03 0.00e+00 m 0 286 0 284 0 3437 23.419 1.346 1.038 9 U 6.949e+03 0.00e+00 m 0 286 0 284 0 3445 23.348 0.416 1.238 9 U 1.147e+03 0.00e+00 m 0 428 0 426 0 3495 24.511 1.563 0.434 9 U 3.539e+03 0.00e+00 m 0 377 0 372 0 3513 23.419 3.386 1.038 9 U 7.400e+02 0.00e+00 m 0 286 0 284 0 3514 23.419 3.281 1.038 9 U 8.940e+02 0.00e+00 m 0 286 0 284 0 3515 23.419 3.092 1.038 9 U 4.000e+02 0.00e+00 m 0 286 0 284 0 3516 23.348 1.273 1.238 9 U 3.150e+04 0.00e+00 m 0 428 0 426 0 3517 23.348 1.876 1.238 9 U 6.042e+03 0.00e+00 m 0 428 0 426 0 3519 26.890 4.227 1.026 9 U 1.806e+03 0.00e+00 m 0 432 0 427 0 3520 24.102 8.300 0.953 9 U 1.576e+03 0.00e+00 m 0 141 0 139 0 3523 24.092 3.900 0.951 9 U 3.124e+03 0.00e+00 m 0 587 0 585 0 3524 24.092 3.987 0.951 9 U 8.373e+03 0.00e+00 m 0 587 0 585 0 3525 24.092 4.156 0.951 9 U 4.414e+03 0.00e+00 m 0 587 0 585 0 3526 25.847 4.159 1.000 9 U 5.993e+03 0.00e+00 m 0 591 0 586 0 3527 25.847 3.987 1.000 9 U 5.881e+03 0.00e+00 m 0 591 0 586 0 3528 25.847 3.900 1.000 9 U 3.209e+03 0.00e+00 m 0 591 0 586 0 3529 24.092 4.271 0.951 9 U 3.828e+03 0.00e+00 m 0 587 0 585 0 3530 25.847 4.277 1.000 9 U 4.345e+03 0.00e+00 m 0 591 0 586 0 3532 24.092 2.369 0.951 9 U 6.202e+03 0.00e+00 m 0 587 0 585 0 3533 24.092 0.418 0.951 9 U 4.391e+03 0.00e+00 m 0 587 0 585 0 3534 25.847 0.418 1.000 9 U 3.561e+03 0.00e+00 m 0 591 0 586 0 3539 25.847 2.122 1.000 9 U 3.505e+03 0.00e+00 m 0 591 0 586 0 3540 24.840 1.511 0.985 9 U 2.465e+03 0.00e+00 m 0 649 0 644 0 3541 25.534 7.062 0.993 9 U 2.626e+03 0.00e+00 m 0 645 0 643 0 3542 25.534 6.902 0.993 9 U 3.422e+03 0.00e+00 m 0 645 0 643 0 3545 24.910 7.077 0.866 9 U 2.815e+03 0.00e+00 m 0 1088 0 1086 0 3546 24.910 6.905 0.866 9 U 2.161e+03 0.00e+00 m 0 1088 0 1086 0 3547 23.690 7.077 0.815 9 U 2.184e+03 0.00e+00 m 0 1092 0 1087 0 3548 23.690 6.905 0.815 9 U 1.215e+03 0.00e+00 m 0 1092 0 1087 0 3553 24.910 3.983 0.866 9 U 2.514e+03 0.00e+00 m 0 1088 0 1086 0 3554 23.690 3.989 0.815 9 U 1.562e+03 0.00e+00 m 0 1092 0 1087 0 3555 24.910 3.076 0.866 9 U 2.099e+03 0.00e+00 m 0 1088 0 1086 0 3556 23.690 3.076 0.815 9 U 1.297e+03 0.00e+00 m 0 1092 0 1087 0 3558 23.690 1.689 0.815 9 U 2.462e+03 0.00e+00 m 0 1092 0 1087 0 3559 23.690 1.817 0.815 9 U 1.488e+03 0.00e+00 m 0 1092 0 1087 0 3560 23.690 2.104 0.815 9 U 1.974e+03 0.00e+00 m 0 1092 0 1087 0 3561 24.910 1.694 0.866 9 U 3.257e+03 0.00e+00 m 0 1088 0 1086 0 3562 24.910 1.821 0.866 9 U 1.620e+03 0.00e+00 m 0 1088 0 1086 0 3563 24.910 2.106 0.866 9 U 2.192e+03 0.00e+00 m 0 1088 0 1086 0 3701 26.861 1.552 0.717 9 U 1.832e+03 0.00e+00 m 0 373 0 371 0 3702 24.511 1.558 0.434 9 U 3.539e+03 0.00e+00 m 0 377 0 372 0 3703 26.861 1.771 0.717 9 U 5.174e+03 0.00e+00 m 0 373 0 371 0 3704 24.511 1.777 0.434 9 U 5.077e+03 0.00e+00 m 0 377 0 372 0 3705 26.861 1.520 0.717 9 U 1.735e+03 0.00e+00 m 0 373 0 371 0 3706 24.511 1.527 0.434 9 U 2.542e+03 0.00e+00 m 0 377 0 372 0 3707 26.861 0.950 0.717 9 U 1.133e+04 0.00e+00 m 0 373 0 371 0 3709 24.511 0.950 0.434 9 U 9.839e+03 0.00e+00 m 0 377 0 372 0 3711 24.092 2.054 0.951 9 U 8.873e+03 0.00e+00 m 0 587 0 585 0 3712 24.092 1.842 0.951 9 U 2.102e+04 0.00e+00 m 0 587 0 585 0 3713 24.092 1.641 0.951 9 U 2.275e+04 0.00e+00 m 0 587 0 585 0 3714 24.092 8.555 0.951 9 U 2.538e+03 0.00e+00 m 0 587 0 585 0 3715 25.847 8.555 1.000 9 U 1.478e+03 0.00e+00 m 0 591 0 586 0 3716 25.534 8.071 0.993 9 U 2.743e+03 0.00e+00 m 0 645 0 643 0 3717 24.840 8.071 0.985 9 U 1.572e+03 0.00e+00 m 0 649 0 644 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 14 ppm . . . 4.8 . . 30493 2 2 . . C 13 C . . 70 ppm . . . 43 . . 30493 2 3 . . H 1 HC . . 14 ppm . . . 4.8 . . 30493 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30493 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 14 _Spectral_peak_list.Experiment_name 'X-filtered noesy (pulse sequence: noesyhsqcgpwgx13d)' _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 #INAME 1 13C #INAME 2 1H #INAME 3 1H 2 56.699 8.357 4.403 2 U 3.953e+03 0.00e+00 m 0 21 20 22 0 3 56.699 4.403 4.403 2 U 5.621e+05 0.00e+00 m 0 21 22 22 0 4 56.710 8.871 4.455 2 U 9.962e+03 0.00e+00 m 0 36 35 37 0 5 56.710 4.455 4.455 2 U 3.043e+05 0.00e+00 m 0 36 37 37 0 6 56.710 2.159 4.455 2 U 9.203e+03 0.00e+00 m 0 36 39 37 0 7 56.710 2.054 4.455 2 U 7.021e+03 0.00e+00 m 0 36 40 37 0 8 56.710 2.388 4.455 2 U 5.897e+03 0.00e+00 m 0 36 45 37 0 10 30.623 8.871 2.159 2 U 3.104e+03 0.00e+00 m 0 38 35 39 0 11 30.623 4.455 2.159 2 U 8.032e+03 0.00e+00 m 0 38 37 39 0 12 30.623 2.159 2.159 2 U 4.668e+05 0.00e+00 m 0 38 39 39 0 13 30.623 2.054 2.159 2 U 2.687e+05 0.00e+00 m 0 38 40 39 0 14 30.623 2.388 2.159 2 U 6.563e+04 0.00e+00 m 0 38 45 39 0 16 30.623 8.871 2.054 2 U 3.442e+03 0.00e+00 m 0 38 35 40 0 17 30.623 4.455 2.054 2 U 7.521e+03 0.00e+00 m 0 38 37 40 0 18 30.623 2.159 2.054 2 U 2.483e+05 0.00e+00 m 0 38 39 40 0 19 30.623 2.054 2.054 2 U 5.592e+05 0.00e+00 m 0 38 40 40 0 20 30.623 2.388 2.054 2 U 5.645e+04 0.00e+00 m 0 38 45 40 0 22 36.516 8.871 2.388 2 U 2.811e+03 0.00e+00 m 0 42 35 45 0 23 36.516 4.455 2.388 2 U 6.893e+03 0.00e+00 m 0 42 37 45 0 24 36.516 2.159 2.388 2 U 9.050e+04 0.00e+00 m 0 42 39 45 0 25 36.516 2.054 2.388 2 U 5.608e+04 0.00e+00 m 0 42 40 45 0 26 36.516 2.388 2.388 2 U 1.815e+06 0.00e+00 m 0 42 45 45 0 34 55.535 8.626 4.499 2 U 4.266e+03 0.00e+00 m 0 51 50 52 0 35 55.535 4.499 4.499 2 U 2.338e+05 0.00e+00 m 0 51 52 52 0 36 55.535 1.804 4.499 2 U 1.007e+04 0.00e+00 m 0 51 54 52 0 37 55.535 1.714 4.499 2 U 1.591e+04 0.00e+00 m 0 51 55 52 0 38 55.535 1.046 4.499 2 U 2.972e+03 0.00e+00 m 0 51 59 52 0 39 55.535 0.986 4.499 2 U 2.224e+04 0.00e+00 m 0 51 60 52 0 40 55.535 1.759 4.499 2 U 1.482e+04 0.00e+00 m 0 51 58 52 0 41 42.328 8.626 1.804 2 U 4.749e+03 0.00e+00 m 0 53 50 54 0 42 42.328 4.499 1.804 2 U 7.612e+03 0.00e+00 m 0 53 52 54 0 43 42.328 1.804 1.804 2 U 1.017e+05 0.00e+00 m 0 53 54 54 0 44 42.328 1.714 1.804 2 U 8.471e+04 0.00e+00 m 0 53 55 54 0 45 42.328 1.046 1.804 2 U 1.377e+04 0.00e+00 m 0 53 59 54 0 46 42.328 0.986 1.804 2 U 1.784e+04 0.00e+00 m 0 53 60 54 0 47 42.328 1.759 1.804 2 U 1.053e+05 0.00e+00 m 0 53 58 54 0 48 42.328 8.626 1.714 2 U 2.835e+03 0.00e+00 m 0 53 50 55 0 49 42.328 4.499 1.714 2 U 7.408e+03 0.00e+00 m 0 53 52 55 0 50 42.328 1.804 1.714 2 U 6.481e+04 0.00e+00 m 0 53 54 55 0 51 42.328 1.714 1.714 2 U 1.013e+05 0.00e+00 m 0 53 55 55 0 52 42.328 1.046 1.714 2 U 1.093e+04 0.00e+00 m 0 53 59 55 0 53 42.328 0.986 1.714 2 U 1.260e+04 0.00e+00 m 0 53 60 55 0 54 42.328 1.759 1.714 2 U 8.446e+04 0.00e+00 m 0 53 58 55 0 55 25.237 8.626 1.046 2 U 1.379e+03 0.00e+00 m 0 61 50 59 0 56 25.237 4.499 1.046 2 U 4.164e+03 0.00e+00 m 0 61 52 59 0 57 25.237 1.804 1.046 2 U 1.786e+04 0.00e+00 m 0 61 54 59 0 58 25.237 1.714 1.046 2 U 2.400e+04 0.00e+00 m 0 61 55 59 0 59 25.237 1.046 1.046 2 U 1.475e+06 0.00e+00 m 0 61 59 59 0 60 25.237 0.986 1.046 2 U 3.723e+05 0.00e+00 m 0 61 60 59 0 61 25.237 1.759 1.046 2 U 3.272e+04 0.00e+00 m 0 61 58 59 0 62 23.496 8.626 0.986 2 U 2.349e+03 0.00e+00 m 0 65 50 60 0 63 23.496 4.499 0.986 2 U 2.519e+04 0.00e+00 m 0 65 52 60 0 64 23.496 1.804 0.986 2 U 1.529e+04 0.00e+00 m 0 65 54 60 0 65 23.496 1.714 0.986 2 U 3.027e+04 0.00e+00 m 0 65 55 60 0 66 23.496 1.046 0.986 2 U 5.438e+04 0.00e+00 m 0 65 59 60 0 67 23.496 0.986 0.986 2 U 1.697e+06 0.00e+00 m 0 65 60 60 0 68 23.496 1.759 0.986 2 U 3.445e+04 0.00e+00 m 0 65 58 60 0 69 27.169 8.626 1.759 2 U 2.252e+03 0.00e+00 m 0 57 50 58 0 70 27.169 4.499 1.759 2 U 2.468e+03 0.00e+00 m 0 57 52 58 0 71 27.169 1.804 1.759 2 U 2.963e+04 0.00e+00 m 0 57 54 58 0 72 27.169 1.714 1.759 2 U 4.808e+04 0.00e+00 m 0 57 55 58 0 73 27.169 1.046 1.759 2 U 6.178e+03 0.00e+00 m 0 57 59 58 0 74 27.169 0.986 1.759 2 U 1.017e+04 0.00e+00 m 0 57 60 58 0 75 27.169 1.759 1.759 2 U 1.287e+05 0.00e+00 m 0 57 58 58 0 76 58.824 8.505 4.524 2 U 2.735e+03 0.00e+00 m 0 73 72 74 0 77 58.824 4.524 4.524 2 U 2.367e+05 0.00e+00 m 0 73 74 74 0 78 58.824 4.021 4.524 2 U 2.990e+04 0.00e+00 m 0 73 76 74 0 79 58.824 3.993 4.524 2 U 3.100e+04 0.00e+00 m 0 73 77 74 0 80 64.108 8.505 4.021 2 U 2.241e+03 0.00e+00 m 0 75 72 76 0 81 64.108 4.524 4.021 2 U 2.481e+04 0.00e+00 m 0 75 74 76 0 82 64.108 4.021 4.021 2 U 3.178e+05 0.00e+00 m 0 75 76 76 0 83 64.108 3.993 4.021 2 U 3.399e+05 0.00e+00 m 0 75 77 76 0 84 64.108 8.505 3.993 2 U 2.482e+03 0.00e+00 m 0 75 72 77 0 85 64.108 4.524 3.993 2 U 3.163e+04 0.00e+00 m 0 75 74 77 0 86 64.108 4.021 3.993 2 U 4.021e+05 0.00e+00 m 0 75 76 77 0 87 64.108 3.993 3.993 2 U 4.567e+05 0.00e+00 m 0 75 77 77 0 88 45.294 8.572 4.139 2 U 1.193e+03 0.00e+00 m 0 83 82 84 0 89 45.294 4.139 4.139 2 U 3.954e+04 0.00e+00 m 0 83 84 84 0 90 45.294 4.019 4.139 2 U 3.736e+04 0.00e+00 m 0 83 85 84 0 91 45.294 8.572 4.019 2 U 1.247e+03 0.00e+00 m 0 83 82 85 0 92 45.294 4.139 4.019 2 U 3.799e+04 0.00e+00 m 0 83 84 85 0 93 45.294 4.019 4.019 2 U 8.947e+04 0.00e+00 m 0 83 85 85 0 94 54.524 8.149 4.737 2 U 2.383e+03 0.00e+00 m 0 90 89 91 0 95 54.524 4.737 4.737 2 U 2.881e+04 0.00e+00 m 0 90 91 91 0 96 54.524 1.932 4.737 2 U 6.508e+03 0.00e+00 m 0 90 93 91 0 97 54.524 1.843 4.737 2 U 7.919e+03 0.00e+00 m 0 90 94 91 0 98 54.524 1.815 4.737 2 U 7.737e+03 0.00e+00 m 0 90 103 91 0 100 54.524 3.135 4.737 2 U 5.340e+02 0.00e+00 m 0 90 107 91 0 102 54.524 1.602 4.737 2 U 5.632e+03 0.00e+00 m 0 90 99 91 0 104 32.781 8.149 1.932 2 U 4.789e+03 0.00e+00 m 0 92 89 93 0 105 32.781 4.737 1.932 2 U 6.411e+03 0.00e+00 m 0 92 91 93 0 106 32.781 1.932 1.932 2 U 1.066e+05 0.00e+00 m 0 92 93 93 0 107 32.781 1.843 1.932 2 U 4.043e+04 0.00e+00 m 0 92 94 93 0 108 32.781 1.815 1.932 2 U 3.649e+04 0.00e+00 m 0 92 103 93 0 110 32.781 3.135 1.932 2 U 2.578e+03 0.00e+00 m 0 92 107 93 0 112 32.781 1.602 1.932 2 U 2.105e+04 0.00e+00 m 0 92 99 93 0 114 32.781 8.149 1.843 2 U 4.039e+03 0.00e+00 m 0 92 89 94 0 115 32.781 4.737 1.843 2 U 5.736e+03 0.00e+00 m 0 92 91 94 0 116 32.781 1.932 1.843 2 U 3.000e+04 0.00e+00 m 0 92 93 94 0 117 32.781 1.843 1.843 2 U 4.358e+04 0.00e+00 m 0 92 94 94 0 118 32.781 1.815 1.843 2 U 3.858e+04 0.00e+00 m 0 92 103 94 0 120 32.781 3.135 1.843 2 U 1.385e+03 0.00e+00 m 0 92 107 94 0 122 32.781 1.602 1.843 2 U 1.231e+04 0.00e+00 m 0 92 99 94 0 124 29.445 8.149 1.815 2 U 4.345e+03 0.00e+00 m 0 100 89 103 0 125 29.445 4.737 1.815 2 U 4.499e+03 0.00e+00 m 0 100 91 103 0 126 29.445 1.932 1.815 2 U 7.508e+04 0.00e+00 m 0 100 93 103 0 127 29.445 1.843 1.815 2 U 2.187e+06 0.00e+00 m 0 100 94 103 0 128 29.445 1.815 1.815 2 U -2.234e+06 0.00e+00 m 0 100 103 103 0 130 29.445 3.135 1.815 2 U 9.937e+04 0.00e+00 m 0 100 107 103 0 132 29.445 1.602 1.815 2 U 2.028e+05 0.00e+00 m 0 100 99 103 0 144 42.294 8.149 3.135 2 U -1.920e+03 0.00e+00 m 0 104 89 107 0 145 42.294 4.737 3.135 2 U 1.686e+03 0.00e+00 m 0 104 91 107 0 146 42.294 1.932 3.135 2 U 2.060e+04 0.00e+00 m 0 104 93 107 0 147 42.294 1.843 3.135 2 U 1.103e+05 0.00e+00 m 0 104 94 107 0 148 42.294 1.815 3.135 2 U 1.258e+05 0.00e+00 m 0 104 103 107 0 150 42.294 3.135 3.135 2 U -2.968e+05 0.00e+00 m 0 104 107 107 0 152 42.294 1.602 3.135 2 U 5.944e+04 0.00e+00 m 0 104 99 107 0 164 24.878 8.149 1.602 2 U 4.363e+03 0.00e+00 m 0 96 89 99 0 165 24.878 4.737 1.602 2 U 5.640e+03 0.00e+00 m 0 96 91 99 0 166 24.878 1.932 1.602 2 U 3.749e+04 0.00e+00 m 0 96 93 99 0 167 24.878 1.843 1.602 2 U 8.574e+04 0.00e+00 m 0 96 94 99 0 168 24.878 1.815 1.602 2 U 1.367e+05 0.00e+00 m 0 96 103 99 0 170 24.878 3.135 1.602 2 U 2.407e+04 0.00e+00 m 0 96 107 99 0 172 24.878 1.602 1.602 2 U 7.343e+05 0.00e+00 m 0 96 99 99 0 184 63.217 4.577 4.577 2 U 2.877e+04 0.00e+00 m 0 115 116 116 0 185 63.217 2.399 4.577 2 U 1.311e+04 0.00e+00 m 0 115 118 116 0 186 63.217 2.003 4.577 2 U 8.657e+03 0.00e+00 m 0 115 119 116 0 187 63.217 3.980 4.577 2 U 1.886e+03 0.00e+00 m 0 115 125 116 0 188 63.217 3.761 4.577 2 U 2.011e+03 0.00e+00 m 0 115 126 116 0 189 63.217 2.168 4.577 2 U 5.142e+03 0.00e+00 m 0 115 122 116 0 190 63.217 2.099 4.577 2 U 6.210e+03 0.00e+00 m 0 115 123 116 0 191 32.321 4.577 2.399 2 U 1.086e+04 0.00e+00 m 0 117 116 118 0 192 32.321 2.399 2.399 2 U 2.491e+05 0.00e+00 m 0 117 118 118 0 193 32.321 2.003 2.399 2 U 8.240e+04 0.00e+00 m 0 117 119 118 0 194 32.321 3.980 2.399 2 U 3.789e+03 0.00e+00 m 0 117 125 118 0 195 32.321 3.761 2.399 2 U 6.966e+03 0.00e+00 m 0 117 126 118 0 196 32.321 2.168 2.399 2 U 2.082e+04 0.00e+00 m 0 117 122 118 0 197 32.321 2.099 2.399 2 U 3.118e+04 0.00e+00 m 0 117 123 118 0 198 32.321 4.577 2.003 2 U 4.715e+03 0.00e+00 m 0 117 116 119 0 199 32.321 2.399 2.003 2 U 6.481e+04 0.00e+00 m 0 117 118 119 0 200 32.321 2.003 2.003 2 U 1.648e+05 0.00e+00 m 0 117 119 119 0 201 32.321 3.980 2.003 2 U 5.029e+03 0.00e+00 m 0 117 125 119 0 202 32.321 3.761 2.003 2 U 7.192e+03 0.00e+00 m 0 117 126 119 0 203 32.321 2.168 2.003 2 U 2.250e+04 0.00e+00 m 0 117 122 119 0 204 32.321 2.099 2.003 2 U 4.737e+04 0.00e+00 m 0 117 123 119 0 205 51.038 4.577 3.980 2 U 1.769e+03 0.00e+00 m 0 114 116 125 0 206 51.038 2.399 3.980 2 U 3.145e+03 0.00e+00 m 0 114 118 125 0 207 51.038 2.003 3.980 2 U 3.749e+03 0.00e+00 m 0 114 119 125 0 208 51.038 3.980 3.980 2 U 2.584e+04 0.00e+00 m 0 114 125 125 0 209 51.038 3.761 3.980 2 U 2.609e+04 0.00e+00 m 0 114 126 125 0 210 51.038 2.168 3.980 2 U 8.271e+03 0.00e+00 m 0 114 122 125 0 211 51.038 2.099 3.980 2 U 9.646e+03 0.00e+00 m 0 114 123 125 0 212 51.038 4.577 3.761 2 U 2.261e+03 0.00e+00 m 0 114 116 126 0 213 51.038 2.399 3.761 2 U 6.966e+03 0.00e+00 m 0 114 118 126 0 214 51.038 2.003 3.761 2 U 1.040e+04 0.00e+00 m 0 114 119 126 0 215 51.038 3.980 3.761 2 U 4.068e+04 0.00e+00 m 0 114 125 126 0 216 51.038 3.761 3.761 2 U 1.234e+05 0.00e+00 m 0 114 126 126 0 217 51.038 2.168 3.761 2 U 2.098e+04 0.00e+00 m 0 114 122 126 0 218 51.038 2.099 3.761 2 U 2.211e+04 0.00e+00 m 0 114 123 126 0 219 27.600 4.577 2.168 2 U 4.965e+03 0.00e+00 m 0 121 116 122 0 220 27.600 2.399 2.168 2 U 1.498e+04 0.00e+00 m 0 121 118 122 0 221 27.600 2.003 2.168 2 U 2.179e+04 0.00e+00 m 0 121 119 122 0 222 27.600 3.980 2.168 2 U 8.385e+03 0.00e+00 m 0 121 125 122 0 223 27.600 3.761 2.168 2 U 1.356e+04 0.00e+00 m 0 121 126 122 0 224 27.600 2.168 2.168 2 U 9.178e+04 0.00e+00 m 0 121 122 122 0 225 27.600 2.099 2.168 2 U 8.188e+04 0.00e+00 m 0 121 123 122 0 226 27.600 4.577 2.099 2 U 3.851e+03 0.00e+00 m 0 121 116 123 0 227 27.600 2.399 2.099 2 U 1.866e+04 0.00e+00 m 0 121 118 123 0 228 27.600 2.003 2.099 2 U 2.760e+04 0.00e+00 m 0 121 119 123 0 229 27.600 3.980 2.099 2 U 8.294e+03 0.00e+00 m 0 121 125 123 0 230 27.600 3.761 2.099 2 U 1.475e+04 0.00e+00 m 0 121 126 123 0 231 27.600 2.168 2.099 2 U 8.433e+04 0.00e+00 m 0 121 122 123 0 232 27.600 2.099 2.099 2 U 1.666e+05 0.00e+00 m 0 121 123 123 0 233 54.645 8.684 4.627 2 U 2.090e+03 0.00e+00 m 0 131 130 132 0 234 54.645 4.627 4.627 2 U 1.438e+04 0.00e+00 m 0 131 132 132 0 235 54.645 1.668 4.627 2 U 4.317e+03 0.00e+00 m 0 131 136 132 0 237 54.645 0.953 4.627 2 U 1.232e+04 0.00e+00 m 0 131 139 132 0 238 54.645 0.944 4.627 2 U 1.232e+04 0.00e+00 m 0 131 140 132 0 239 54.645 1.863 4.627 2 U 2.936e+03 0.00e+00 m 0 131 138 132 0 240 44.155 8.684 1.668 2 U 2.070e+03 0.00e+00 m 0 133 130 136 0 241 44.155 4.627 1.668 2 U 2.121e+03 0.00e+00 m 0 133 132 136 0 242 44.155 1.668 1.668 2 U 6.347e+03 0.00e+00 m 0 133 136 136 0 244 44.155 0.953 1.668 2 U 7.726e+03 0.00e+00 m 0 133 139 136 0 245 44.155 0.944 1.668 2 U 7.726e+03 0.00e+00 m 0 133 140 136 0 246 44.155 1.863 1.668 2 U 3.193e+03 0.00e+00 m 0 133 138 136 0 254 24.102 8.684 0.953 2 U 9.066e+03 0.00e+00 m 0 141 130 139 0 255 24.102 4.627 0.953 2 U 1.509e+04 0.00e+00 m 0 141 132 139 0 256 24.102 1.668 0.953 2 U 1.916e+04 0.00e+00 m 0 141 136 139 0 258 24.102 0.953 0.953 2 U 6.123e+05 0.00e+00 m 0 141 139 139 0 259 24.102 0.944 0.953 2 U 6.123e+05 0.00e+00 m 0 141 140 139 0 260 24.102 1.863 0.953 2 U 1.850e+04 0.00e+00 m 0 141 138 139 0 261 26.665 8.684 0.944 2 U 4.385e+03 0.00e+00 m 0 145 130 140 0 262 26.665 4.627 0.944 2 U 4.635e+03 0.00e+00 m 0 145 132 140 0 263 26.665 1.668 0.944 2 U 1.956e+04 0.00e+00 m 0 145 136 140 0 265 26.665 0.953 0.944 2 U 2.131e+05 0.00e+00 m 0 145 139 140 0 266 26.665 0.944 0.944 2 U 2.131e+05 0.00e+00 m 0 145 140 140 0 267 26.665 1.863 0.944 2 U 1.738e+04 0.00e+00 m 0 145 138 140 0 268 27.430 8.684 1.863 2 U 2.630e+03 0.00e+00 m 0 137 130 138 0 269 27.430 4.627 1.863 2 U 1.917e+03 0.00e+00 m 0 137 132 138 0 270 27.430 1.668 1.863 2 U 5.126e+03 0.00e+00 m 0 137 136 138 0 272 27.430 0.953 1.863 2 U 1.174e+04 0.00e+00 m 0 137 139 138 0 273 27.430 0.944 1.863 2 U 1.174e+04 0.00e+00 m 0 137 140 138 0 274 27.430 1.863 1.863 2 U 1.650e+04 0.00e+00 m 0 137 138 138 0 275 57.516 9.169 4.610 2 U 1.772e+03 0.00e+00 m 0 153 152 154 0 276 57.516 4.610 4.610 2 U 9.271e+03 0.00e+00 m 0 153 154 154 0 277 57.516 4.518 4.610 2 U -1.832e+03 0.00e+00 m 0 153 156 154 0 278 57.516 4.201 4.610 2 U 2.403e+03 0.00e+00 m 0 153 157 154 0 279 65.670 9.169 4.518 2 U 8.360e+02 0.00e+00 m 0 155 152 156 0 280 65.670 4.610 4.518 2 U 2.147e+03 0.00e+00 m 0 155 154 156 0 281 65.670 4.518 4.518 2 U 4.692e+03 0.00e+00 m 0 155 156 156 0 282 65.670 4.201 4.518 2 U 1.780e+03 0.00e+00 m 0 155 157 156 0 283 65.670 9.169 4.201 2 U 8.800e+02 0.00e+00 m 0 155 152 157 0 284 65.670 4.610 4.201 2 U 2.218e+03 0.00e+00 m 0 155 154 157 0 285 65.670 4.518 4.201 2 U 1.829e+03 0.00e+00 m 0 155 156 157 0 286 65.670 4.201 4.201 2 U 1.820e+03 0.00e+00 m 0 155 157 157 0 287 62.608 9.116 4.218 2 U 1.305e+03 0.00e+00 m 0 163 162 164 0 288 62.608 4.218 4.218 2 U 3.190e+04 0.00e+00 m 0 163 164 164 0 289 62.608 3.370 4.218 2 U 3.999e+03 0.00e+00 m 0 163 166 164 0 290 62.608 3.176 4.218 2 U 2.771e+03 0.00e+00 m 0 163 167 164 0 291 38.226 9.116 3.370 2 U 1.200e+03 0.00e+00 m 0 165 162 166 0 292 38.226 4.218 3.370 2 U 3.108e+03 0.00e+00 m 0 165 164 166 0 293 38.226 3.370 3.370 2 U 5.093e+03 0.00e+00 m 0 165 166 166 0 294 38.226 3.176 3.370 2 U 5.005e+03 0.00e+00 m 0 165 167 166 0 295 38.226 9.116 3.176 2 U 1.450e+03 0.00e+00 m 0 165 162 167 0 296 38.226 4.218 3.176 2 U 3.561e+03 0.00e+00 m 0 165 164 167 0 297 38.226 3.370 3.176 2 U 6.242e+03 0.00e+00 m 0 165 166 167 0 298 38.226 3.176 3.176 2 U 9.771e+03 0.00e+00 m 0 165 167 167 0 299 55.117 8.781 4.133 2 U 3.261e+03 0.00e+00 m 0 186 185 187 0 300 55.117 4.133 4.133 2 U 9.152e+04 0.00e+00 m 0 186 187 187 0 301 55.117 1.577 4.133 2 U 1.554e+04 0.00e+00 m 0 186 188 187 0 302 18.566 8.781 1.577 2 U 1.319e+04 0.00e+00 m 0 189 185 188 0 303 18.566 4.133 1.577 2 U 2.317e+04 0.00e+00 m 0 189 187 188 0 304 18.566 1.577 1.577 2 U 2.545e+05 0.00e+00 m 0 189 188 188 0 305 59.327 8.051 4.079 2 U 2.976e+03 0.00e+00 m 0 196 195 197 0 306 59.327 4.079 4.079 2 U 9.816e+03 0.00e+00 m 0 196 197 197 0 307 59.327 2.096 4.079 2 U 7.317e+03 0.00e+00 m 0 196 199 197 0 308 59.327 2.500 4.079 2 U 2.871e+03 0.00e+00 m 0 196 203 197 0 309 59.327 2.372 4.079 2 U 5.503e+03 0.00e+00 m 0 196 204 197 0 310 30.576 8.051 2.096 2 U 2.538e+03 0.00e+00 m 0 198 195 199 0 311 30.576 4.079 2.096 2 U 2.121e+03 0.00e+00 m 0 198 197 199 0 312 30.576 2.096 2.096 2 U 5.772e+04 0.00e+00 m 0 198 199 199 0 313 30.576 2.500 2.096 2 U 3.277e+03 0.00e+00 m 0 198 203 199 0 314 30.576 2.372 2.096 2 U 9.759e+03 0.00e+00 m 0 198 204 199 0 315 37.323 8.051 2.500 2 U 3.709e+03 0.00e+00 m 0 202 195 203 0 316 37.323 4.079 2.500 2 U 4.351e+03 0.00e+00 m 0 202 197 203 0 317 37.323 2.096 2.500 2 U 6.082e+03 0.00e+00 m 0 202 199 203 0 318 37.323 2.500 2.500 2 U 2.073e+04 0.00e+00 m 0 202 203 203 0 319 37.323 2.372 2.500 2 U 2.024e+04 0.00e+00 m 0 202 204 203 0 320 37.323 8.051 2.372 2 U 4.289e+03 0.00e+00 m 0 202 195 204 0 321 37.323 4.079 2.372 2 U 5.431e+03 0.00e+00 m 0 202 197 204 0 322 37.323 2.096 2.372 2 U 8.294e+03 0.00e+00 m 0 202 199 204 0 323 37.323 2.500 2.372 2 U 1.911e+04 0.00e+00 m 0 202 203 204 0 324 37.323 2.372 2.372 2 U 5.084e+04 0.00e+00 m 0 202 204 204 0 325 61.060 8.539 3.918 2 U 1.871e+03 0.00e+00 m 0 211 210 212 0 326 61.060 3.918 3.918 2 U 4.925e+03 0.00e+00 m 0 211 212 212 0 327 61.060 2.043 3.918 2 U 4.544e+03 0.00e+00 m 0 211 214 212 0 328 61.060 1.878 3.918 2 U 2.904e+03 0.00e+00 m 0 211 215 212 0 329 61.060 1.763 3.918 2 U 2.719e+03 0.00e+00 m 0 211 224 212 0 331 61.060 3.031 3.918 2 U 1.660e+02 0.00e+00 m 0 211 226 212 0 332 61.060 2.952 3.918 2 U 8.500e+01 0.00e+00 m 0 211 227 212 0 333 61.060 1.671 3.918 2 U 2.586e+03 0.00e+00 m 0 211 218 212 0 334 61.060 1.317 3.918 2 U 1.871e+03 0.00e+00 m 0 211 219 212 0 335 32.276 8.539 2.043 2 U 3.273e+03 0.00e+00 m 0 213 210 214 0 336 32.276 3.918 2.043 2 U 6.580e+03 0.00e+00 m 0 213 212 214 0 337 32.276 2.043 2.043 2 U 7.054e+04 0.00e+00 m 0 213 214 214 0 338 32.276 1.878 2.043 2 U 9.691e+03 0.00e+00 m 0 213 215 214 0 339 32.276 1.763 2.043 2 U 1.634e+04 0.00e+00 m 0 213 224 214 0 341 32.276 3.031 2.043 2 U 3.056e+03 0.00e+00 m 0 213 226 214 0 342 32.276 2.952 2.043 2 U 2.178e+03 0.00e+00 m 0 213 227 214 0 343 32.276 1.671 2.043 2 U 7.146e+03 0.00e+00 m 0 213 218 214 0 344 32.276 1.317 2.043 2 U 2.354e+03 0.00e+00 m 0 213 219 214 0 345 32.276 8.539 1.878 2 U 1.598e+03 0.00e+00 m 0 213 210 215 0 346 32.276 3.918 1.878 2 U 1.697e+03 0.00e+00 m 0 213 212 215 0 347 32.276 2.043 1.878 2 U 4.857e+03 0.00e+00 m 0 213 214 215 0 348 32.276 1.878 1.878 2 U 4.840e+03 0.00e+00 m 0 213 215 215 0 349 32.276 1.763 1.878 2 U 3.221e+03 0.00e+00 m 0 213 224 215 0 351 32.276 3.031 1.878 2 U 1.068e+03 0.00e+00 m 0 213 226 215 0 352 32.276 2.952 1.878 2 U 7.300e+02 0.00e+00 m 0 213 227 215 0 353 32.276 1.671 1.878 2 U 2.855e+03 0.00e+00 m 0 213 218 215 0 354 32.276 1.317 1.878 2 U 1.608e+03 0.00e+00 m 0 213 219 215 0 355 29.909 8.539 1.763 2 U 1.849e+03 0.00e+00 m 0 221 210 224 0 356 29.909 3.918 1.763 2 U 3.482e+03 0.00e+00 m 0 221 212 224 0 357 29.909 2.043 1.763 2 U 1.293e+04 0.00e+00 m 0 221 214 224 0 358 29.909 1.878 1.763 2 U 2.523e+04 0.00e+00 m 0 221 215 224 0 359 29.909 1.763 1.763 2 U 7.799e+04 0.00e+00 m 0 221 224 224 0 361 29.909 3.031 1.763 2 U 8.578e+03 0.00e+00 m 0 221 226 224 0 362 29.909 2.952 1.763 2 U 7.078e+03 0.00e+00 m 0 221 227 224 0 363 29.909 1.671 1.763 2 U 1.242e+04 0.00e+00 m 0 221 218 224 0 364 29.909 1.317 1.763 2 U 4.902e+03 0.00e+00 m 0 221 219 224 0 375 41.882 8.539 3.031 2 U 1.263e+03 0.00e+00 m 0 225 210 226 0 376 41.882 3.918 3.031 2 U 1.954e+03 0.00e+00 m 0 225 212 226 0 377 41.882 2.043 3.031 2 U 8.464e+03 0.00e+00 m 0 225 214 226 0 378 41.882 1.878 3.031 2 U 6.572e+03 0.00e+00 m 0 225 215 226 0 379 41.882 1.763 3.031 2 U 1.809e+04 0.00e+00 m 0 225 224 226 0 381 41.882 3.031 3.031 2 U 9.062e+04 0.00e+00 m 0 225 226 226 0 382 41.882 2.952 3.031 2 U 5.663e+04 0.00e+00 m 0 225 227 226 0 383 41.882 1.671 3.031 2 U 5.744e+03 0.00e+00 m 0 225 218 226 0 384 41.882 1.317 3.031 2 U 2.090e+03 0.00e+00 m 0 225 219 226 0 385 41.882 8.539 2.952 2 U 1.289e+03 0.00e+00 m 0 225 210 227 0 386 41.882 3.918 2.952 2 U 1.600e+03 0.00e+00 m 0 225 212 227 0 387 41.882 2.043 2.952 2 U 6.652e+03 0.00e+00 m 0 225 214 227 0 388 41.882 1.878 2.952 2 U 5.905e+03 0.00e+00 m 0 225 215 227 0 389 41.882 1.763 2.952 2 U 1.472e+04 0.00e+00 m 0 225 224 227 0 391 41.882 3.031 2.952 2 U 5.754e+04 0.00e+00 m 0 225 226 227 0 392 41.882 2.952 2.952 2 U 6.463e+04 0.00e+00 m 0 225 227 227 0 393 41.882 1.671 2.952 2 U 5.857e+03 0.00e+00 m 0 225 218 227 0 394 41.882 1.317 2.952 2 U 2.457e+03 0.00e+00 m 0 225 219 227 0 395 26.907 8.539 1.671 2 U 1.038e+03 0.00e+00 m 0 217 210 218 0 396 26.907 3.918 1.671 2 U 1.536e+03 0.00e+00 m 0 217 212 218 0 397 26.907 2.043 1.671 2 U 2.289e+03 0.00e+00 m 0 217 214 218 0 398 26.907 1.878 1.671 2 U 3.349e+03 0.00e+00 m 0 217 215 218 0 399 26.907 1.763 1.671 2 U 3.539e+03 0.00e+00 m 0 217 224 218 0 401 26.907 3.031 1.671 2 U 1.140e+03 0.00e+00 m 0 217 226 218 0 402 26.907 2.952 1.671 2 U 1.056e+03 0.00e+00 m 0 217 227 218 0 403 26.907 1.671 1.671 2 U 6.628e+03 0.00e+00 m 0 217 218 218 0 404 26.907 1.317 1.671 2 U 2.980e+03 0.00e+00 m 0 217 219 218 0 405 26.907 8.539 1.317 2 U 1.062e+03 0.00e+00 m 0 217 210 219 0 406 26.907 3.918 1.317 2 U 1.391e+03 0.00e+00 m 0 217 212 219 0 407 26.907 2.043 1.317 2 U 2.167e+03 0.00e+00 m 0 217 214 219 0 408 26.907 1.878 1.317 2 U 3.301e+03 0.00e+00 m 0 217 215 219 0 409 26.907 1.763 1.317 2 U 3.466e+03 0.00e+00 m 0 217 224 219 0 411 26.907 3.031 1.317 2 U 8.870e+02 0.00e+00 m 0 217 226 219 0 412 26.907 2.952 1.317 2 U 8.590e+02 0.00e+00 m 0 217 227 219 0 413 26.907 1.671 1.317 2 U 4.902e+03 0.00e+00 m 0 217 218 219 0 414 26.907 1.317 1.317 2 U 4.573e+03 0.00e+00 m 0 217 219 219 0 415 59.347 8.317 3.980 2 U 5.037e+03 0.00e+00 m 0 236 235 237 0 416 59.347 3.980 3.980 2 U 9.703e+03 0.00e+00 m 0 236 237 237 0 417 59.347 2.148 3.980 2 U 6.556e+03 0.00e+00 m 0 236 239 237 0 418 59.347 2.040 3.980 2 U 9.884e+03 0.00e+00 m 0 236 240 237 0 419 59.347 1.986 3.980 2 U 5.592e+03 0.00e+00 m 0 236 243 237 0 420 59.347 2.165 3.980 2 U 5.897e+03 0.00e+00 m 0 236 244 237 0 421 29.487 8.317 2.148 2 U 2.272e+03 0.00e+00 m 0 238 235 239 0 422 29.487 3.980 2.148 2 U 2.144e+03 0.00e+00 m 0 238 237 239 0 423 29.487 2.148 2.148 2 U -5.590e+02 0.00e+00 m 0 238 239 239 0 424 29.487 2.040 2.148 2 U 4.794e+03 0.00e+00 m 0 238 240 239 0 425 29.487 1.986 2.148 2 U 5.664e+03 0.00e+00 m 0 238 243 239 0 426 29.487 2.165 2.148 2 U -1.232e+03 0.00e+00 m 0 238 244 239 0 427 29.487 8.317 2.040 2 U 2.646e+03 0.00e+00 m 0 238 235 240 0 428 29.487 3.980 2.040 2 U 1.979e+03 0.00e+00 m 0 238 237 240 0 429 29.487 2.148 2.040 2 U 3.539e+03 0.00e+00 m 0 238 239 240 0 430 29.487 2.040 2.040 2 U 6.326e+04 0.00e+00 m 0 238 240 240 0 431 29.487 1.986 2.040 2 U 2.021e+04 0.00e+00 m 0 238 243 240 0 432 29.487 2.165 2.040 2 U 3.567e+03 0.00e+00 m 0 238 244 240 0 433 36.592 8.317 1.986 2 U 3.470e+03 0.00e+00 m 0 242 235 243 0 434 36.592 3.980 1.986 2 U 2.916e+03 0.00e+00 m 0 242 237 243 0 435 36.592 2.148 1.986 2 U 1.813e+04 0.00e+00 m 0 242 239 243 0 436 36.592 2.040 1.986 2 U 1.438e+04 0.00e+00 m 0 242 240 243 0 437 36.592 1.986 1.986 2 U 1.875e+04 0.00e+00 m 0 242 243 243 0 438 36.592 2.165 1.986 2 U 1.679e+04 0.00e+00 m 0 242 244 243 0 439 36.592 8.317 2.165 2 U 4.022e+03 0.00e+00 m 0 242 235 244 0 440 36.592 3.980 2.165 2 U 3.607e+03 0.00e+00 m 0 242 237 244 0 441 36.592 2.148 2.165 2 U 2.757e+04 0.00e+00 m 0 242 239 244 0 442 36.592 2.040 2.165 2 U 1.634e+04 0.00e+00 m 0 242 240 244 0 443 36.592 1.986 2.165 2 U 1.877e+04 0.00e+00 m 0 242 243 244 0 444 36.592 2.165 2.165 2 U 2.818e+04 0.00e+00 m 0 242 244 244 0 445 59.522 7.899 4.230 2 U 3.658e+03 0.00e+00 m 0 251 250 252 0 446 59.522 4.230 4.230 2 U 2.642e+04 0.00e+00 m 0 251 252 252 0 447 59.522 2.094 4.230 2 U 9.680e+03 0.00e+00 m 0 251 254 252 0 448 59.522 2.022 4.230 2 U 9.839e+03 0.00e+00 m 0 251 255 252 0 449 59.522 1.873 4.230 2 U 4.118e+03 0.00e+00 m 0 251 264 252 0 451 59.522 3.072 4.230 2 U 7.550e+02 0.00e+00 m 0 251 268 252 0 453 59.522 1.729 4.230 2 U 7.623e+03 0.00e+00 m 0 251 258 252 0 454 59.522 1.611 4.230 2 U 6.459e+03 0.00e+00 m 0 251 259 252 0 455 32.416 7.899 2.094 2 U 1.228e+04 0.00e+00 m 0 253 250 254 0 456 32.416 4.230 2.094 2 U 1.393e+04 0.00e+00 m 0 253 252 254 0 457 32.416 2.094 2.094 2 U 6.099e+04 0.00e+00 m 0 253 254 254 0 458 32.416 2.022 2.094 2 U 3.586e+04 0.00e+00 m 0 253 255 254 0 459 32.416 1.873 2.094 2 U 1.445e+04 0.00e+00 m 0 253 264 254 0 461 32.416 3.072 2.094 2 U 2.554e+03 0.00e+00 m 0 253 268 254 0 463 32.416 1.729 2.094 2 U 1.688e+04 0.00e+00 m 0 253 258 254 0 464 32.416 1.611 2.094 2 U 6.580e+03 0.00e+00 m 0 253 259 254 0 465 32.416 7.899 2.022 2 U 5.961e+03 0.00e+00 m 0 253 250 255 0 466 32.416 4.230 2.022 2 U 8.816e+03 0.00e+00 m 0 253 252 255 0 467 32.416 2.094 2.022 2 U 4.820e+04 0.00e+00 m 0 253 254 255 0 468 32.416 2.022 2.022 2 U 1.274e+05 0.00e+00 m 0 253 255 255 0 469 32.416 1.873 2.022 2 U 8.873e+03 0.00e+00 m 0 253 264 255 0 471 32.416 3.072 2.022 2 U 3.446e+03 0.00e+00 m 0 253 268 255 0 473 32.416 1.729 2.022 2 U 1.327e+04 0.00e+00 m 0 253 258 255 0 474 32.416 1.611 2.022 2 U 8.998e+03 0.00e+00 m 0 253 259 255 0 475 29.832 7.899 1.873 2 U 3.104e+03 0.00e+00 m 0 261 250 264 0 476 29.832 4.230 1.873 2 U 6.331e+03 0.00e+00 m 0 261 252 264 0 477 29.832 2.094 1.873 2 U 2.063e+04 0.00e+00 m 0 261 254 264 0 478 29.832 2.022 1.873 2 U 1.123e+04 0.00e+00 m 0 261 255 264 0 479 29.832 1.873 1.873 2 U 2.240e+05 0.00e+00 m 0 261 264 264 0 481 29.832 3.072 1.873 2 U 1.416e+04 0.00e+00 m 0 261 268 264 0 483 29.832 1.729 1.873 2 U 3.218e+04 0.00e+00 m 0 261 258 264 0 484 29.832 1.611 1.873 2 U 8.521e+03 0.00e+00 m 0 261 259 264 0 495 42.159 7.899 3.072 2 U 2.053e+03 0.00e+00 m 0 265 250 268 0 496 42.159 4.230 3.072 2 U 4.459e+03 0.00e+00 m 0 265 252 268 0 497 42.159 2.094 3.072 2 U 1.125e+04 0.00e+00 m 0 265 254 268 0 498 42.159 2.022 3.072 2 U 1.101e+04 0.00e+00 m 0 265 255 268 0 499 42.159 1.873 3.072 2 U 2.237e+04 0.00e+00 m 0 265 264 268 0 501 42.159 3.072 3.072 2 U 9.220e+05 0.00e+00 m 0 265 268 268 0 503 42.159 1.729 3.072 2 U 2.895e+04 0.00e+00 m 0 265 258 268 0 504 42.159 1.611 3.072 2 U 1.611e+04 0.00e+00 m 0 265 259 268 0 515 25.446 7.899 1.729 2 U 6.572e+03 0.00e+00 m 0 257 250 258 0 516 25.446 4.230 1.729 2 U 8.214e+03 0.00e+00 m 0 257 252 258 0 517 25.446 2.094 1.729 2 U 1.989e+04 0.00e+00 m 0 257 254 258 0 518 25.446 2.022 1.729 2 U 1.223e+04 0.00e+00 m 0 257 255 258 0 519 25.446 1.873 1.729 2 U 3.227e+04 0.00e+00 m 0 257 264 258 0 521 25.446 3.072 1.729 2 U 1.001e+04 0.00e+00 m 0 257 268 258 0 523 25.446 1.729 1.729 2 U 1.012e+05 0.00e+00 m 0 257 258 258 0 524 25.446 1.611 1.729 2 U 3.545e+04 0.00e+00 m 0 257 259 258 0 525 25.446 7.899 1.611 2 U 4.340e+03 0.00e+00 m 0 257 250 259 0 526 25.446 4.230 1.611 2 U 6.797e+03 0.00e+00 m 0 257 252 259 0 527 25.446 2.094 1.611 2 U 1.044e+04 0.00e+00 m 0 257 254 259 0 528 25.446 2.022 1.611 2 U 1.207e+04 0.00e+00 m 0 257 255 259 0 529 25.446 1.873 1.611 2 U 1.759e+04 0.00e+00 m 0 257 264 259 0 531 25.446 3.072 1.611 2 U 9.055e+03 0.00e+00 m 0 257 268 259 0 533 25.446 1.729 1.611 2 U 4.525e+04 0.00e+00 m 0 257 258 259 0 534 25.446 1.611 1.611 2 U 2.095e+05 0.00e+00 m 0 257 259 259 0 535 58.427 8.069 4.228 2 U 1.834e+03 0.00e+00 m 0 276 275 277 0 536 58.427 4.228 4.228 2 U 3.736e+04 0.00e+00 m 0 276 277 277 0 537 58.427 2.237 4.228 2 U 6.090e+03 0.00e+00 m 0 276 279 277 0 538 58.427 1.843 4.228 2 U 6.090e+03 0.00e+00 m 0 276 280 277 0 539 58.427 1.038 4.228 2 U 5.246e+03 0.00e+00 m 0 276 284 277 0 540 58.427 0.951 4.228 2 U 4.266e+03 0.00e+00 m 0 276 285 277 0 541 58.427 2.048 4.228 2 U 1.454e+04 0.00e+00 m 0 276 283 277 0 542 41.880 8.069 2.237 2 U 8.160e+02 0.00e+00 m 0 278 275 279 0 543 41.880 4.228 2.237 2 U 8.170e+02 0.00e+00 m 0 278 277 279 0 544 41.880 2.237 2.237 2 U 1.570e+03 0.00e+00 m 0 278 279 279 0 545 41.880 1.843 2.237 2 U 5.480e+02 0.00e+00 m 0 278 280 279 0 546 41.880 1.038 2.237 2 U 1.612e+03 0.00e+00 m 0 278 284 279 0 547 41.880 0.951 2.237 2 U 2.164e+03 0.00e+00 m 0 278 285 279 0 548 41.880 2.048 2.237 2 U 9.990e+02 0.00e+00 m 0 278 283 279 0 549 41.880 8.069 1.843 2 U 9.720e+02 0.00e+00 m 0 278 275 280 0 550 41.880 4.228 1.843 2 U 9.070e+02 0.00e+00 m 0 278 277 280 0 551 41.880 2.237 1.843 2 U 5.580e+02 0.00e+00 m 0 278 279 280 0 552 41.880 1.843 1.843 2 U 4.647e+03 0.00e+00 m 0 278 280 280 0 553 41.880 1.038 1.843 2 U 2.195e+03 0.00e+00 m 0 278 284 280 0 554 41.880 0.951 1.843 2 U 2.711e+03 0.00e+00 m 0 278 285 280 0 555 41.880 2.048 1.843 2 U 1.329e+03 0.00e+00 m 0 278 283 280 0 556 23.419 8.069 1.038 2 U 5.351e+03 0.00e+00 m 0 286 275 284 0 557 23.419 4.228 1.038 2 U 1.187e+04 0.00e+00 m 0 286 277 284 0 558 23.419 2.237 1.038 2 U 5.270e+03 0.00e+00 m 0 286 279 284 0 559 23.419 1.843 1.038 2 U 9.487e+03 0.00e+00 m 0 286 280 284 0 560 23.419 1.038 1.038 2 U 1.233e+05 0.00e+00 m 0 286 284 284 0 561 23.419 0.951 1.038 2 U 3.745e+04 0.00e+00 m 0 286 285 284 0 562 23.419 2.048 1.038 2 U 1.416e+04 0.00e+00 m 0 286 283 284 0 563 26.697 8.069 0.951 2 U 2.659e+03 0.00e+00 m 0 290 275 285 0 564 26.697 4.228 0.951 2 U 3.692e+03 0.00e+00 m 0 290 277 285 0 565 26.697 2.237 0.951 2 U 2.791e+03 0.00e+00 m 0 290 279 285 0 566 26.697 1.843 0.951 2 U 1.556e+04 0.00e+00 m 0 290 280 285 0 567 26.697 1.038 0.951 2 U 3.022e+04 0.00e+00 m 0 290 284 285 0 568 26.697 0.951 0.951 2 U 1.689e+05 0.00e+00 m 0 290 285 285 0 569 26.697 2.048 0.951 2 U 1.020e+04 0.00e+00 m 0 290 283 285 0 570 27.290 8.069 2.048 2 U 1.301e+03 0.00e+00 m 0 282 275 283 0 571 27.290 4.228 2.048 2 U 1.524e+03 0.00e+00 m 0 282 277 283 0 572 27.290 2.237 2.048 2 U 1.187e+03 0.00e+00 m 0 282 279 283 0 573 27.290 1.843 2.048 2 U 1.353e+03 0.00e+00 m 0 282 280 283 0 574 27.290 1.038 2.048 2 U 3.076e+03 0.00e+00 m 0 282 284 283 0 575 27.290 0.951 2.048 2 U 2.791e+03 0.00e+00 m 0 282 285 283 0 576 27.290 2.048 2.048 2 U 1.711e+04 0.00e+00 m 0 282 283 283 0 577 60.749 8.331 3.945 2 U 2.799e+03 0.00e+00 m 0 298 297 299 0 578 60.749 3.945 3.945 2 U 6.612e+03 0.00e+00 m 0 298 299 299 0 579 60.749 2.043 3.945 2 U 6.170e+03 0.00e+00 m 0 298 303 299 0 580 60.749 1.828 3.945 2 U 3.652e+03 0.00e+00 m 0 298 309 299 0 581 60.749 3.046 3.945 2 U 3.840e+02 0.00e+00 m 0 298 313 299 0 582 60.749 1.782 3.945 2 U 4.459e+03 0.00e+00 m 0 298 305 299 0 583 60.749 1.487 3.945 2 U 2.354e+03 0.00e+00 m 0 298 306 299 0 584 32.145 8.331 2.043 2 U 7.907e+03 0.00e+00 m 0 300 297 303 0 585 32.145 3.945 2.043 2 U 7.805e+03 0.00e+00 m 0 300 299 303 0 586 32.145 2.043 2.043 2 U 7.054e+04 0.00e+00 m 0 300 303 303 0 587 32.145 1.828 2.043 2 U 1.434e+04 0.00e+00 m 0 300 309 303 0 588 32.145 3.046 2.043 2 U 3.470e+03 0.00e+00 m 0 300 313 303 0 589 32.145 1.782 2.043 2 U 1.652e+04 0.00e+00 m 0 300 305 303 0 590 32.145 1.487 2.043 2 U 4.845e+03 0.00e+00 m 0 300 306 303 0 591 30.018 8.331 1.828 2 U 2.988e+03 0.00e+00 m 0 308 297 309 0 592 30.018 3.945 1.828 2 U 3.056e+03 0.00e+00 m 0 308 299 309 0 593 30.018 2.043 1.828 2 U 8.566e+03 0.00e+00 m 0 308 303 309 0 594 30.018 1.828 1.828 2 U 1.812e+05 0.00e+00 m 0 308 309 309 0 595 30.018 3.046 1.828 2 U 1.380e+04 0.00e+00 m 0 308 313 309 0 596 30.018 1.782 1.828 2 U 1.313e+05 0.00e+00 m 0 308 305 309 0 597 30.018 1.487 1.828 2 U 1.043e+04 0.00e+00 m 0 308 306 309 0 598 42.296 8.331 3.046 2 U 3.032e+03 0.00e+00 m 0 312 297 313 0 599 42.296 3.945 3.046 2 U 1.227e+03 0.00e+00 m 0 312 299 313 0 600 42.296 2.043 3.046 2 U 8.635e+03 0.00e+00 m 0 312 303 313 0 601 42.296 1.828 3.046 2 U 3.886e+04 0.00e+00 m 0 312 309 313 0 602 42.296 3.046 3.046 2 U 3.995e+05 0.00e+00 m 0 312 313 313 0 603 42.296 1.782 3.046 2 U 3.531e+04 0.00e+00 m 0 312 305 313 0 604 42.296 1.487 3.046 2 U 7.976e+03 0.00e+00 m 0 312 306 313 0 605 26.233 8.331 1.782 2 U 2.033e+03 0.00e+00 m 0 304 297 305 0 606 26.233 3.945 1.782 2 U 1.809e+03 0.00e+00 m 0 304 299 305 0 607 26.233 2.043 1.782 2 U 3.840e+03 0.00e+00 m 0 304 303 305 0 608 26.233 1.828 1.782 2 U 1.201e+03 0.00e+00 m 0 304 309 305 0 609 26.233 3.046 1.782 2 U 1.056e+03 0.00e+00 m 0 304 313 305 0 610 26.233 1.782 1.782 2 U 4.380e+03 0.00e+00 m 0 304 305 305 0 611 26.233 1.487 1.782 2 U 4.601e+03 0.00e+00 m 0 304 306 305 0 612 26.233 8.331 1.487 2 U 2.070e+03 0.00e+00 m 0 304 297 306 0 613 26.233 3.945 1.487 2 U 3.353e+03 0.00e+00 m 0 304 299 306 0 614 26.233 2.043 1.487 2 U 5.736e+03 0.00e+00 m 0 304 303 306 0 615 26.233 1.828 1.487 2 U 1.452e+04 0.00e+00 m 0 304 309 306 0 616 26.233 3.046 1.487 2 U 4.050e+03 0.00e+00 m 0 304 313 306 0 617 26.233 1.782 1.487 2 U 1.572e+04 0.00e+00 m 0 304 305 306 0 618 26.233 1.487 1.487 2 U 1.959e+04 0.00e+00 m 0 304 306 306 0 619 59.410 8.298 4.264 2 U 7.158e+03 0.00e+00 m 0 323 322 324 0 620 59.410 4.264 4.264 2 U 3.400e+04 0.00e+00 m 0 323 324 324 0 621 59.410 2.319 4.264 2 U 1.094e+04 0.00e+00 m 0 323 326 324 0 622 59.410 2.264 4.264 2 U 9.703e+03 0.00e+00 m 0 323 327 324 0 623 59.410 2.588 4.264 2 U 4.215e+03 0.00e+00 m 0 323 330 324 0 624 59.410 2.374 4.264 2 U 1.035e+04 0.00e+00 m 0 323 331 324 0 625 29.853 8.298 2.319 2 U 4.647e+03 0.00e+00 m 0 325 322 326 0 626 29.853 4.264 2.319 2 U 6.982e+03 0.00e+00 m 0 325 324 326 0 627 29.853 2.319 2.319 2 U 1.364e+04 0.00e+00 m 0 325 326 326 0 628 29.853 2.264 2.319 2 U 1.334e+04 0.00e+00 m 0 325 327 326 0 629 29.853 2.588 2.319 2 U 5.021e+03 0.00e+00 m 0 325 330 326 0 630 29.853 2.374 2.319 2 U 1.281e+04 0.00e+00 m 0 325 331 326 0 631 29.853 8.298 2.264 2 U 6.339e+03 0.00e+00 m 0 325 322 327 0 632 29.853 4.264 2.264 2 U 9.225e+03 0.00e+00 m 0 325 324 327 0 633 29.853 2.319 2.264 2 U 2.018e+04 0.00e+00 m 0 325 326 327 0 634 29.853 2.264 2.264 2 U 2.102e+04 0.00e+00 m 0 325 327 327 0 635 29.853 2.588 2.264 2 U 6.291e+03 0.00e+00 m 0 325 330 327 0 636 29.853 2.374 2.264 2 U 1.752e+04 0.00e+00 m 0 325 331 327 0 637 36.727 8.298 2.588 2 U 7.248e+03 0.00e+00 m 0 329 322 330 0 638 36.727 4.264 2.588 2 U 8.441e+03 0.00e+00 m 0 329 324 330 0 639 36.727 2.319 2.588 2 U 1.586e+04 0.00e+00 m 0 329 326 330 0 640 36.727 2.264 2.588 2 U 1.276e+04 0.00e+00 m 0 329 327 330 0 641 36.727 2.588 2.588 2 U 9.101e+04 0.00e+00 m 0 329 330 330 0 642 36.727 2.374 2.588 2 U 3.991e+04 0.00e+00 m 0 329 331 330 0 643 36.727 8.298 2.374 2 U 7.089e+03 0.00e+00 m 0 329 322 331 0 644 36.727 4.264 2.374 2 U 1.228e+04 0.00e+00 m 0 329 324 331 0 645 36.727 2.319 2.374 2 U 7.681e+04 0.00e+00 m 0 329 326 331 0 646 36.727 2.264 2.374 2 U 2.179e+04 0.00e+00 m 0 329 327 331 0 647 36.727 2.588 2.374 2 U 2.822e+04 0.00e+00 m 0 329 330 331 0 648 36.727 2.374 2.374 2 U 1.235e+06 0.00e+00 m 0 329 331 331 0 649 59.636 8.201 4.492 2 U 1.985e+03 0.00e+00 m 0 338 337 339 0 650 59.636 4.492 4.492 2 U 2.635e+04 0.00e+00 m 0 338 339 339 0 651 59.636 2.298 4.492 2 U 1.401e+03 0.00e+00 m 0 338 341 339 0 652 59.636 2.125 4.492 2 U 2.175e+03 0.00e+00 m 0 338 342 339 0 653 59.636 1.898 4.492 2 U 8.250e+02 0.00e+00 m 0 338 349 339 0 654 59.636 1.864 4.492 2 U 6.930e+02 0.00e+00 m 0 338 350 339 0 655 59.636 3.087 4.492 2 U -1.270e+02 0.00e+00 m 0 338 355 339 0 657 59.636 1.558 4.492 2 U 1.271e+03 0.00e+00 m 0 338 345 339 0 658 59.636 1.742 4.492 2 U 2.252e+03 0.00e+00 m 0 338 346 339 0 659 32.203 8.201 2.298 2 U 1.232e+03 0.00e+00 m 0 340 337 341 0 660 32.203 4.492 2.298 2 U 1.331e+03 0.00e+00 m 0 340 339 341 0 661 32.203 2.298 2.298 2 U 1.522e+03 0.00e+00 m 0 340 341 341 0 662 32.203 2.125 2.298 2 U 2.835e+03 0.00e+00 m 0 340 342 341 0 663 32.203 1.898 2.298 2 U 1.009e+03 0.00e+00 m 0 340 349 341 0 664 32.203 1.864 2.298 2 U 1.181e+03 0.00e+00 m 0 340 350 341 0 665 32.203 3.087 2.298 2 U 2.060e+02 0.00e+00 m 0 340 355 341 0 667 32.203 1.558 2.298 2 U 9.770e+02 0.00e+00 m 0 340 345 341 0 668 32.203 1.742 2.298 2 U 1.114e+03 0.00e+00 m 0 340 346 341 0 669 32.203 8.201 2.125 2 U 2.570e+03 0.00e+00 m 0 340 337 342 0 670 32.203 4.492 2.125 2 U 3.369e+03 0.00e+00 m 0 340 339 342 0 671 32.203 2.298 2.125 2 U 3.249e+03 0.00e+00 m 0 340 341 342 0 672 32.203 2.125 2.125 2 U 2.400e+04 0.00e+00 m 0 340 342 342 0 673 32.203 1.898 2.125 2 U 4.726e+03 0.00e+00 m 0 340 349 342 0 674 32.203 1.864 2.125 2 U 6.259e+03 0.00e+00 m 0 340 350 342 0 675 32.203 3.087 2.125 2 U 1.798e+03 0.00e+00 m 0 340 355 342 0 677 32.203 1.558 2.125 2 U 5.222e+03 0.00e+00 m 0 340 345 342 0 678 32.203 1.742 2.125 2 U 8.032e+03 0.00e+00 m 0 340 346 342 0 679 29.885 8.201 1.898 2 U 1.401e+03 0.00e+00 m 0 348 337 349 0 680 29.885 4.492 1.898 2 U 2.332e+03 0.00e+00 m 0 348 339 349 0 681 29.885 2.298 1.898 2 U 1.996e+03 0.00e+00 m 0 348 341 349 0 682 29.885 2.125 1.898 2 U 1.324e+04 0.00e+00 m 0 348 342 349 0 683 29.885 1.898 1.898 2 U 7.262e+04 0.00e+00 m 0 348 349 349 0 684 29.885 1.864 1.898 2 U 1.012e+05 0.00e+00 m 0 348 350 349 0 685 29.885 3.087 1.898 2 U 1.691e+04 0.00e+00 m 0 348 355 349 0 687 29.885 1.558 1.898 2 U 1.006e+04 0.00e+00 m 0 348 345 349 0 688 29.885 1.742 1.898 2 U 1.663e+04 0.00e+00 m 0 348 346 349 0 689 29.885 8.201 1.864 2 U 1.271e+03 0.00e+00 m 0 348 337 350 0 690 29.885 4.492 1.864 2 U 2.863e+03 0.00e+00 m 0 348 339 350 0 691 29.885 2.298 1.864 2 U 1.693e+03 0.00e+00 m 0 348 341 350 0 692 29.885 2.125 1.864 2 U 1.943e+04 0.00e+00 m 0 348 342 350 0 693 29.885 1.898 1.864 2 U 1.371e+05 0.00e+00 m 0 348 349 350 0 694 29.885 1.864 1.864 2 U 2.240e+05 0.00e+00 m 0 348 350 350 0 695 29.885 3.087 1.864 2 U 2.490e+04 0.00e+00 m 0 348 355 350 0 697 29.885 1.558 1.864 2 U 1.886e+04 0.00e+00 m 0 348 345 350 0 698 29.885 1.742 1.864 2 U 3.218e+04 0.00e+00 m 0 348 346 350 0 699 42.297 8.201 3.087 2 U 2.546e+03 0.00e+00 m 0 352 337 355 0 700 42.297 4.492 3.087 2 U 1.086e+03 0.00e+00 m 0 352 339 355 0 701 42.297 2.298 3.087 2 U -9.950e+02 0.00e+00 m 0 352 341 355 0 702 42.297 2.125 3.087 2 U 8.885e+03 0.00e+00 m 0 352 342 355 0 703 42.297 1.898 3.087 2 U 1.484e+04 0.00e+00 m 0 352 349 355 0 704 42.297 1.864 3.087 2 U 3.013e+04 0.00e+00 m 0 352 350 355 0 705 42.297 3.087 3.087 2 U 9.191e+05 0.00e+00 m 0 352 355 355 0 707 42.297 1.558 3.087 2 U 1.809e+04 0.00e+00 m 0 352 345 355 0 708 42.297 1.742 3.087 2 U 2.603e+04 0.00e+00 m 0 352 346 355 0 719 25.302 8.201 1.558 2 U 3.647e+03 0.00e+00 m 0 344 337 345 0 720 25.302 4.492 1.558 2 U 2.574e+03 0.00e+00 m 0 344 339 345 0 721 25.302 2.298 1.558 2 U 1.715e+03 0.00e+00 m 0 344 341 345 0 722 25.302 2.125 1.558 2 U 9.430e+03 0.00e+00 m 0 344 342 345 0 723 25.302 1.898 1.558 2 U 2.918e+04 0.00e+00 m 0 344 349 345 0 724 25.302 1.864 1.558 2 U 3.568e+04 0.00e+00 m 0 344 350 345 0 725 25.302 3.087 1.558 2 U 1.954e+04 0.00e+00 m 0 344 355 345 0 727 25.302 1.558 1.558 2 U 6.312e+05 0.00e+00 m 0 344 345 345 0 728 25.302 1.742 1.558 2 U 2.635e+04 0.00e+00 m 0 344 346 345 0 729 25.302 8.201 1.742 2 U 1.840e+03 0.00e+00 m 0 344 337 346 0 730 25.302 4.492 1.742 2 U 2.655e+03 0.00e+00 m 0 344 339 346 0 731 25.302 2.298 1.742 2 U 2.646e+03 0.00e+00 m 0 344 341 346 0 732 25.302 2.125 1.742 2 U 1.231e+04 0.00e+00 m 0 344 342 346 0 733 25.302 1.898 1.742 2 U 1.538e+04 0.00e+00 m 0 344 349 346 0 734 25.302 1.864 1.742 2 U 2.407e+04 0.00e+00 m 0 344 350 346 0 735 25.302 3.087 1.742 2 U 9.771e+03 0.00e+00 m 0 344 355 346 0 737 25.302 1.558 1.742 2 U 3.572e+04 0.00e+00 m 0 344 345 346 0 738 25.302 1.742 1.742 2 U 6.444e+04 0.00e+00 m 0 344 346 346 0 739 59.087 8.547 4.100 2 U 1.846e+03 0.00e+00 m 0 363 362 364 0 740 59.087 4.100 4.100 2 U 8.396e+03 0.00e+00 m 0 363 364 364 0 741 59.087 2.055 4.100 2 U 6.805e+03 0.00e+00 m 0 363 366 364 0 742 59.087 1.711 4.100 2 U 3.647e+03 0.00e+00 m 0 363 367 364 0 743 59.087 0.717 4.100 2 U 1.381e+03 0.00e+00 m 0 363 371 364 0 744 59.087 0.434 4.100 2 U 1.832e+03 0.00e+00 m 0 363 372 364 0 745 59.087 1.903 4.100 2 U 2.005e+03 0.00e+00 m 0 363 370 364 0 746 41.755 8.547 2.055 2 U 1.161e+03 0.00e+00 m 0 365 362 366 0 747 41.755 4.100 2.055 2 U 8.610e+02 0.00e+00 m 0 365 364 366 0 748 41.755 2.055 2.055 2 U 2.819e+03 0.00e+00 m 0 365 366 366 0 749 41.755 1.711 2.055 2 U 2.972e+03 0.00e+00 m 0 365 367 366 0 750 41.755 0.717 2.055 2 U 2.397e+03 0.00e+00 m 0 365 371 366 0 751 41.755 0.434 2.055 2 U 1.319e+03 0.00e+00 m 0 365 372 366 0 752 41.755 1.903 2.055 2 U 1.608e+03 0.00e+00 m 0 365 370 366 0 753 41.755 8.547 1.711 2 U 1.419e+03 0.00e+00 m 0 365 362 367 0 754 41.755 4.100 1.711 2 U 1.139e+03 0.00e+00 m 0 365 364 367 0 755 41.755 2.055 1.711 2 U 2.763e+03 0.00e+00 m 0 365 366 367 0 756 41.755 1.711 1.711 2 U 1.797e+04 0.00e+00 m 0 365 367 367 0 757 41.755 0.717 1.711 2 U 3.056e+03 0.00e+00 m 0 365 371 367 0 758 41.755 0.434 1.711 2 U 2.011e+03 0.00e+00 m 0 365 372 367 0 759 41.755 1.903 1.711 2 U 2.315e+03 0.00e+00 m 0 365 370 367 0 760 26.861 8.547 0.717 2 U 2.478e+03 0.00e+00 m 0 373 362 371 0 761 26.861 4.100 0.717 2 U 3.249e+03 0.00e+00 m 0 373 364 371 0 762 26.861 2.055 0.717 2 U 6.058e+03 0.00e+00 m 0 373 366 371 0 763 26.861 1.711 0.717 2 U 7.044e+03 0.00e+00 m 0 373 367 371 0 764 26.861 0.717 0.717 2 U 5.438e+04 0.00e+00 m 0 373 371 371 0 765 26.861 0.434 0.717 2 U 9.612e+03 0.00e+00 m 0 373 372 371 0 766 26.861 1.903 0.717 2 U 6.508e+03 0.00e+00 m 0 373 370 371 0 767 24.511 8.547 0.434 2 U 3.012e+03 0.00e+00 m 0 377 362 372 0 768 24.511 4.100 0.434 2 U 5.680e+03 0.00e+00 m 0 377 364 372 0 769 24.511 2.055 0.434 2 U 5.704e+03 0.00e+00 m 0 377 366 372 0 770 24.511 1.711 0.434 2 U 7.760e+03 0.00e+00 m 0 377 367 372 0 771 24.511 0.717 0.434 2 U 1.582e+04 0.00e+00 m 0 377 371 372 0 772 24.511 0.434 0.434 2 U 5.283e+04 0.00e+00 m 0 377 372 372 0 773 24.511 1.903 0.434 2 U 7.794e+03 0.00e+00 m 0 377 370 372 0 774 26.644 8.547 1.903 2 U 7.830e+02 0.00e+00 m 0 369 362 370 0 775 26.644 4.100 1.903 2 U 4.550e+02 0.00e+00 m 0 369 364 370 0 776 26.644 2.055 1.903 2 U 1.150e+03 0.00e+00 m 0 369 366 370 0 777 26.644 1.711 1.903 2 U 1.670e+03 0.00e+00 m 0 369 367 370 0 778 26.644 0.717 1.903 2 U 2.439e+03 0.00e+00 m 0 369 371 370 0 779 26.644 0.434 1.903 2 U 1.147e+03 0.00e+00 m 0 369 372 370 0 780 26.644 1.903 1.903 2 U 8.320e+02 0.00e+00 m 0 369 370 370 0 781 55.519 7.782 4.341 2 U 3.442e+03 0.00e+00 m 0 385 384 386 0 782 55.519 4.341 4.341 2 U 2.018e+04 0.00e+00 m 0 385 386 386 0 783 55.519 1.726 4.341 2 U 1.342e+04 0.00e+00 m 0 385 387 386 0 784 18.213 7.782 1.726 2 U 1.522e+04 0.00e+00 m 0 388 384 387 0 785 18.213 4.341 1.726 2 U 2.208e+04 0.00e+00 m 0 388 386 387 0 786 18.213 1.726 1.726 2 U 1.582e+05 0.00e+00 m 0 388 387 387 0 787 61.439 8.472 4.503 2 U 2.896e+03 0.00e+00 m 0 395 394 396 0 788 61.439 4.503 4.503 2 U 1.049e+04 0.00e+00 m 0 395 396 396 0 789 61.439 3.556 4.503 2 U 4.283e+03 0.00e+00 m 0 395 400 396 0 791 39.175 8.472 3.556 2 U 2.932e+03 0.00e+00 m 0 397 394 400 0 792 39.175 4.503 3.556 2 U 4.845e+03 0.00e+00 m 0 397 396 400 0 793 39.175 3.556 3.556 2 U 5.206e+03 0.00e+00 m 0 397 400 400 0 799 58.269 9.200 3.993 2 U 1.550e+03 0.00e+00 m 0 418 417 419 0 800 58.269 3.993 3.993 2 U 3.084e+03 0.00e+00 m 0 418 419 419 0 801 58.269 2.536 3.993 2 U 3.110e+02 0.00e+00 m 0 418 421 419 0 802 58.269 1.574 3.993 2 U 1.131e+03 0.00e+00 m 0 418 422 419 0 803 58.269 1.238 3.993 2 U 4.022e+03 0.00e+00 m 0 418 426 419 0 804 58.269 1.026 3.993 2 U 3.885e+03 0.00e+00 m 0 418 427 419 0 805 58.269 2.475 3.993 2 U 6.870e+02 0.00e+00 m 0 418 425 419 0 806 43.473 9.200 2.536 2 U 4.230e+02 0.00e+00 m 0 420 417 421 0 808 43.473 2.536 2.536 2 U 9.400e+02 0.00e+00 m 0 420 421 421 0 810 43.473 1.238 2.536 2 U 6.350e+02 0.00e+00 m 0 420 426 421 0 811 43.473 1.026 2.536 2 U 7.960e+02 0.00e+00 m 0 420 427 421 0 812 43.473 2.475 2.536 2 U 3.620e+02 0.00e+00 m 0 420 425 421 0 813 43.473 9.200 1.574 2 U 5.440e+02 0.00e+00 m 0 420 417 422 0 815 43.473 2.536 1.574 2 U 3.520e+02 0.00e+00 m 0 420 421 422 0 817 43.473 1.238 1.574 2 U 1.072e+03 0.00e+00 m 0 420 426 422 0 818 43.473 1.026 1.574 2 U 1.211e+03 0.00e+00 m 0 420 427 422 0 819 43.473 2.475 1.574 2 U 3.900e+02 0.00e+00 m 0 420 425 422 0 820 23.348 9.200 1.238 2 U 4.811e+03 0.00e+00 m 0 428 417 426 0 821 23.398 3.999 1.238 2 U 6.524e+03 0.00e+00 m 0 428 419 426 0 822 23.348 2.536 1.238 2 U 3.269e+03 0.00e+00 m 0 428 421 426 0 823 23.348 1.574 1.238 2 U 4.567e+03 0.00e+00 m 0 428 422 426 0 824 23.348 1.238 1.238 2 U 5.097e+04 0.00e+00 m 0 428 426 426 0 826 23.348 2.475 1.238 2 U 4.664e+03 0.00e+00 m 0 428 425 426 0 827 26.890 9.200 1.026 2 U 2.775e+03 0.00e+00 m 0 432 417 427 0 828 26.890 3.993 1.026 2 U 2.164e+03 0.00e+00 m 0 432 419 427 0 829 26.890 2.536 1.026 2 U 1.011e+03 0.00e+00 m 0 432 421 427 0 830 26.890 1.574 1.026 2 U 2.391e+03 0.00e+00 m 0 432 422 427 0 831 26.890 1.238 1.026 2 U 8.782e+03 0.00e+00 m 0 432 426 427 0 832 26.890 1.026 1.026 2 U 2.137e+04 0.00e+00 m 0 432 427 427 0 833 26.890 2.475 1.026 2 U 1.713e+03 0.00e+00 m 0 432 425 427 0 834 26.968 9.200 2.475 2 U 3.220e+02 0.00e+00 m 0 424 417 425 0 836 26.968 2.536 2.475 2 U 2.350e+02 0.00e+00 m 0 424 421 425 0 838 26.968 1.238 2.475 2 U 1.038e+03 0.00e+00 m 0 424 426 425 0 840 26.968 2.475 2.475 2 U 7.680e+02 0.00e+00 m 0 424 425 425 0 841 60.576 8.493 3.985 2 U 2.340e+03 0.00e+00 m 0 440 439 441 0 842 60.576 3.985 3.985 2 U 6.500e+03 0.00e+00 m 0 440 441 441 0 843 60.576 2.117 3.985 2 U 5.029e+03 0.00e+00 m 0 440 445 441 0 845 60.576 1.829 3.985 2 U 2.181e+03 0.00e+00 m 0 440 453 441 0 847 60.576 3.052 3.985 2 U 9.610e+02 0.00e+00 m 0 440 457 441 0 849 60.576 1.491 3.985 2 U 2.554e+03 0.00e+00 m 0 440 447 441 0 850 60.576 1.696 3.985 2 U 2.851e+03 0.00e+00 m 0 440 448 441 0 851 32.926 8.493 2.117 2 U 6.186e+03 0.00e+00 m 0 442 439 445 0 852 32.926 3.985 2.117 2 U 4.973e+03 0.00e+00 m 0 442 441 445 0 853 32.926 2.117 2.117 2 U 3.154e+04 0.00e+00 m 0 442 445 445 0 855 32.926 1.829 2.117 2 U 9.248e+03 0.00e+00 m 0 442 453 445 0 857 32.926 3.052 2.117 2 U 2.411e+03 0.00e+00 m 0 442 457 445 0 859 32.926 1.491 2.117 2 U 4.618e+03 0.00e+00 m 0 442 447 445 0 860 32.926 1.696 2.117 2 U 8.430e+03 0.00e+00 m 0 442 448 445 0 871 29.679 8.493 1.829 2 U 5.993e+03 0.00e+00 m 0 450 439 453 0 872 29.679 3.985 1.829 2 U 4.289e+03 0.00e+00 m 0 450 441 453 0 873 29.679 2.117 1.829 2 U 1.747e+04 0.00e+00 m 0 450 445 453 0 875 29.679 1.829 1.829 2 U 1.200e+06 0.00e+00 m 0 450 453 453 0 877 29.679 3.052 1.829 2 U 1.992e+04 0.00e+00 m 0 450 457 453 0 879 29.679 1.491 1.829 2 U 6.741e+03 0.00e+00 m 0 450 447 453 0 880 29.679 1.696 1.829 2 U 1.686e+04 0.00e+00 m 0 450 448 453 0 891 42.282 8.493 3.052 2 U 2.843e+03 0.00e+00 m 0 454 439 457 0 892 42.282 3.985 3.052 2 U 1.860e+03 0.00e+00 m 0 454 441 457 0 893 42.282 2.117 3.052 2 U 1.157e+04 0.00e+00 m 0 454 445 457 0 895 42.282 1.829 3.052 2 U 4.968e+04 0.00e+00 m 0 454 453 457 0 897 42.282 3.052 3.052 2 U 8.124e+05 0.00e+00 m 0 454 457 457 0 899 42.282 1.491 3.052 2 U 1.027e+04 0.00e+00 m 0 454 447 457 0 900 42.282 1.696 3.052 2 U 2.686e+04 0.00e+00 m 0 454 448 457 0 911 25.753 8.493 1.491 2 U 1.554e+03 0.00e+00 m 0 446 439 447 0 912 25.753 3.985 1.491 2 U 2.209e+03 0.00e+00 m 0 446 441 447 0 913 25.753 2.117 1.491 2 U 5.760e+03 0.00e+00 m 0 446 445 447 0 915 25.753 1.829 1.491 2 U 8.714e+03 0.00e+00 m 0 446 453 447 0 917 25.753 3.052 1.491 2 U 3.885e+03 0.00e+00 m 0 446 457 447 0 919 25.753 1.491 1.491 2 U 2.073e+04 0.00e+00 m 0 446 447 447 0 920 25.753 1.696 1.491 2 U 1.067e+04 0.00e+00 m 0 446 448 447 0 921 25.753 8.493 1.696 2 U 1.931e+03 0.00e+00 m 0 446 439 448 0 922 25.753 3.985 1.696 2 U 2.030e+03 0.00e+00 m 0 446 441 448 0 923 25.753 2.117 1.696 2 U 8.260e+03 0.00e+00 m 0 446 445 448 0 925 25.753 1.829 1.696 2 U 1.777e+04 0.00e+00 m 0 446 453 448 0 927 25.753 3.052 1.696 2 U 5.688e+03 0.00e+00 m 0 446 457 448 0 929 25.753 1.491 1.696 2 U 1.038e+04 0.00e+00 m 0 446 447 448 0 930 25.753 1.696 1.696 2 U 3.886e+04 0.00e+00 m 0 446 448 448 0 931 59.718 7.916 4.244 2 U 4.914e+03 0.00e+00 m 0 465 464 466 0 932 59.718 4.244 4.244 2 U 3.854e+04 0.00e+00 m 0 465 466 466 0 933 59.718 2.022 4.244 2 U 1.043e+04 0.00e+00 m 0 465 468 466 0 934 59.718 2.096 4.244 2 U 1.310e+04 0.00e+00 m 0 465 469 466 0 935 59.718 1.850 4.244 2 U 4.981e+03 0.00e+00 m 0 465 478 466 0 937 59.718 3.098 4.244 2 U 8.860e+02 0.00e+00 m 0 465 482 466 0 939 59.718 1.739 4.244 2 U 1.007e+04 0.00e+00 m 0 465 472 466 0 940 59.718 1.579 4.244 2 U 6.459e+03 0.00e+00 m 0 465 473 466 0 941 32.219 7.916 2.022 2 U 5.720e+03 0.00e+00 m 0 467 464 468 0 942 32.219 4.244 2.022 2 U 8.975e+03 0.00e+00 m 0 467 466 468 0 943 32.219 2.022 2.022 2 U 1.293e+05 0.00e+00 m 0 467 468 468 0 944 32.219 2.096 2.022 2 U 4.550e+04 0.00e+00 m 0 467 469 468 0 945 32.219 1.850 2.022 2 U 9.634e+03 0.00e+00 m 0 467 478 468 0 947 32.219 3.098 2.022 2 U 1.664e+03 0.00e+00 m 0 467 482 468 0 949 32.219 1.739 2.022 2 U 1.302e+04 0.00e+00 m 0 467 472 468 0 950 32.219 1.579 2.022 2 U 5.921e+03 0.00e+00 m 0 467 473 468 0 951 32.219 7.916 2.096 2 U 1.030e+04 0.00e+00 m 0 467 464 469 0 952 32.219 4.244 2.096 2 U 1.436e+04 0.00e+00 m 0 467 466 469 0 953 32.219 2.022 2.096 2 U 3.313e+04 0.00e+00 m 0 467 468 469 0 954 32.219 2.096 2.096 2 U 5.174e+04 0.00e+00 m 0 467 469 469 0 955 32.219 1.850 2.096 2 U 1.218e+04 0.00e+00 m 0 467 478 469 0 957 32.219 3.098 2.096 2 U 2.546e+03 0.00e+00 m 0 467 482 469 0 959 32.219 1.739 2.096 2 U 1.507e+04 0.00e+00 m 0 467 472 469 0 960 32.219 1.579 2.096 2 U 9.725e+03 0.00e+00 m 0 467 473 469 0 961 29.645 7.916 1.850 2 U 3.305e+03 0.00e+00 m 0 475 464 478 0 962 29.645 4.244 1.850 2 U 6.210e+03 0.00e+00 m 0 475 466 478 0 963 29.645 2.022 1.850 2 U 1.364e+04 0.00e+00 m 0 475 468 478 0 964 29.645 2.096 1.850 2 U 2.118e+04 0.00e+00 m 0 475 469 478 0 965 29.645 1.850 1.850 2 U 3.738e+05 0.00e+00 m 0 475 478 478 0 967 29.645 3.098 1.850 2 U 3.340e+04 0.00e+00 m 0 475 482 478 0 969 29.645 1.739 1.850 2 U 3.300e+04 0.00e+00 m 0 475 472 478 0 970 29.645 1.579 1.850 2 U 2.773e+04 0.00e+00 m 0 475 473 478 0 981 42.206 7.916 3.098 2 U 1.866e+03 0.00e+00 m 0 479 464 482 0 982 42.206 4.244 3.098 2 U 2.936e+03 0.00e+00 m 0 479 466 482 0 983 42.206 2.022 3.098 2 U 1.091e+04 0.00e+00 m 0 479 468 482 0 984 42.206 2.096 3.098 2 U 8.953e+03 0.00e+00 m 0 479 469 482 0 985 42.206 1.850 3.098 2 U 6.426e+04 0.00e+00 m 0 479 478 482 0 987 42.206 3.098 3.098 2 U 1.578e+06 0.00e+00 m 0 479 482 482 0 989 42.206 1.739 3.098 2 U 1.875e+04 0.00e+00 m 0 479 472 482 0 990 42.206 1.579 3.098 2 U 2.327e+04 0.00e+00 m 0 479 473 482 0 1001 25.225 7.916 1.739 2 U 5.519e+03 0.00e+00 m 0 471 464 472 0 1002 25.225 4.244 1.739 2 U 8.089e+03 0.00e+00 m 0 471 466 472 0 1003 25.225 2.022 1.739 2 U 1.065e+04 0.00e+00 m 0 471 468 472 0 1004 25.225 2.096 1.739 2 U 1.593e+04 0.00e+00 m 0 471 469 472 0 1005 25.225 1.850 1.739 2 U 3.218e+04 0.00e+00 m 0 471 478 472 0 1007 25.225 3.098 1.739 2 U 1.020e+04 0.00e+00 m 0 471 482 472 0 1009 25.225 1.739 1.739 2 U 8.446e+04 0.00e+00 m 0 471 472 472 0 1010 25.225 1.579 1.739 2 U 4.338e+04 0.00e+00 m 0 471 473 472 0 1011 25.225 7.916 1.579 2 U 3.715e+03 0.00e+00 m 0 471 464 473 0 1012 25.225 4.244 1.579 2 U 1.001e+04 0.00e+00 m 0 471 466 473 0 1013 25.225 2.022 1.579 2 U 1.934e+04 0.00e+00 m 0 471 468 473 0 1014 25.225 2.096 1.579 2 U 1.427e+04 0.00e+00 m 0 471 469 473 0 1015 25.225 1.850 1.579 2 U 8.882e+04 0.00e+00 m 0 471 478 473 0 1017 25.225 3.098 1.579 2 U 2.654e+04 0.00e+00 m 0 471 482 473 0 1019 25.225 1.739 1.579 2 U 4.338e+04 0.00e+00 m 0 471 472 473 0 1020 25.225 1.579 1.579 2 U 7.723e+05 0.00e+00 m 0 471 473 473 0 1021 58.807 8.829 4.190 2 U 2.181e+03 0.00e+00 m 0 490 489 491 0 1022 58.807 4.190 4.190 2 U 1.552e+04 0.00e+00 m 0 490 491 491 0 1023 58.807 1.881 4.190 2 U 5.793e+03 0.00e+00 m 0 490 495 491 0 1025 58.807 2.118 4.190 2 U 5.857e+03 0.00e+00 m 0 490 497 491 0 1026 58.807 2.000 4.190 2 U 8.464e+03 0.00e+00 m 0 490 498 491 0 1027 29.939 8.829 1.881 2 U 3.257e+03 0.00e+00 m 0 492 489 495 0 1028 29.939 4.190 1.881 2 U 5.214e+03 0.00e+00 m 0 492 491 495 0 1029 29.939 1.881 1.881 2 U 1.674e+05 0.00e+00 m 0 492 495 495 0 1031 29.939 2.118 1.881 2 U 1.675e+04 0.00e+00 m 0 492 497 495 0 1032 29.939 2.000 1.881 2 U 9.884e+03 0.00e+00 m 0 492 498 495 0 1039 36.355 8.829 2.118 2 U 2.374e+03 0.00e+00 m 0 496 489 497 0 1040 36.355 4.190 2.118 2 U 3.185e+03 0.00e+00 m 0 496 491 497 0 1041 36.355 1.881 2.118 2 U 8.112e+03 0.00e+00 m 0 496 495 497 0 1043 36.355 2.118 2.118 2 U 1.868e+04 0.00e+00 m 0 496 497 497 0 1044 36.355 2.000 2.118 2 U 1.452e+04 0.00e+00 m 0 496 498 497 0 1045 36.355 8.829 2.000 2 U 1.634e+03 0.00e+00 m 0 496 489 498 0 1046 36.355 4.190 2.000 2 U 2.526e+03 0.00e+00 m 0 496 491 498 0 1047 36.355 1.881 2.000 2 U 6.516e+03 0.00e+00 m 0 496 495 498 0 1049 36.355 2.118 2.000 2 U 1.559e+04 0.00e+00 m 0 496 497 498 0 1050 36.355 2.000 2.000 2 U 1.797e+04 0.00e+00 m 0 496 498 498 0 1051 63.089 9.188 3.898 2 U 1.419e+03 0.00e+00 m 0 505 504 506 0 1052 63.089 3.898 3.898 2 U 2.315e+03 0.00e+00 m 0 505 506 506 0 1053 63.089 3.375 3.898 2 U 7.530e+02 0.00e+00 m 0 505 508 506 0 1054 63.089 3.081 3.898 2 U 1.092e+03 0.00e+00 m 0 505 509 506 0 1055 38.783 9.188 3.375 2 U 9.610e+02 0.00e+00 m 0 507 504 508 0 1057 38.783 3.375 3.375 2 U 1.798e+03 0.00e+00 m 0 507 508 508 0 1058 38.783 3.081 3.375 2 U 4.800e+02 0.00e+00 m 0 507 509 508 0 1059 38.783 9.188 3.081 2 U 6.100e+02 0.00e+00 m 0 507 504 509 0 1061 38.783 3.375 3.081 2 U 6.580e+02 0.00e+00 m 0 507 508 509 0 1062 38.783 3.081 3.081 2 U -4.500e+02 0.00e+00 m 0 507 509 509 0 1063 62.841 8.386 4.232 2 U 5.214e+03 0.00e+00 m 0 528 527 529 0 1064 62.841 4.232 4.232 2 U 4.094e+04 0.00e+00 m 0 528 529 529 0 1065 59.790 8.456 4.231 2 U 4.141e+03 0.00e+00 m 0 538 537 539 0 1066 59.790 4.231 4.231 2 U 2.580e+04 0.00e+00 m 0 538 539 539 0 1067 59.790 2.038 4.231 2 U 7.385e+03 0.00e+00 m 0 538 541 539 0 1068 59.790 1.971 4.231 2 U 6.017e+03 0.00e+00 m 0 538 542 539 0 1069 59.790 3.320 4.231 2 U 1.640e+03 0.00e+00 m 0 538 551 539 0 1071 59.790 1.893 4.231 2 U 4.612e+03 0.00e+00 m 0 538 545 539 0 1072 59.790 1.744 4.231 2 U 5.817e+03 0.00e+00 m 0 538 546 539 0 1073 30.905 8.456 2.038 2 U 5.351e+03 0.00e+00 m 0 540 537 541 0 1074 30.905 4.231 2.038 2 U 1.174e+04 0.00e+00 m 0 540 539 541 0 1075 30.905 2.038 2.038 2 U 2.283e+05 0.00e+00 m 0 540 541 541 0 1076 30.905 1.971 2.038 2 U 1.039e+05 0.00e+00 m 0 540 542 541 0 1077 30.905 3.320 2.038 2 U 1.110e+04 0.00e+00 m 0 540 551 541 0 1079 30.905 1.893 2.038 2 U 1.968e+04 0.00e+00 m 0 540 545 541 0 1080 30.905 1.744 2.038 2 U 9.362e+03 0.00e+00 m 0 540 546 541 0 1081 30.905 8.456 1.971 2 U 4.039e+03 0.00e+00 m 0 540 537 542 0 1082 30.905 4.231 1.971 2 U 7.987e+03 0.00e+00 m 0 540 539 542 0 1083 30.905 2.038 1.971 2 U 8.446e+04 0.00e+00 m 0 540 541 542 0 1084 30.905 1.971 1.971 2 U 1.182e+05 0.00e+00 m 0 540 542 542 0 1085 30.905 3.320 1.971 2 U 8.816e+03 0.00e+00 m 0 540 551 542 0 1087 30.905 1.893 1.971 2 U 1.956e+04 0.00e+00 m 0 540 545 542 0 1088 30.905 1.744 1.971 2 U 8.714e+03 0.00e+00 m 0 540 546 542 0 1089 43.841 8.456 3.320 2 U 2.400e+03 0.00e+00 m 0 548 537 551 0 1090 43.841 4.231 3.320 2 U 1.302e+04 0.00e+00 m 0 548 539 551 0 1091 43.841 2.038 3.320 2 U 3.313e+04 0.00e+00 m 0 548 541 551 0 1092 43.841 1.971 3.320 2 U 3.336e+04 0.00e+00 m 0 548 542 551 0 1093 43.841 3.320 3.320 2 U 5.774e+05 0.00e+00 m 0 548 551 551 0 1095 43.841 1.893 3.320 2 U 4.030e+04 0.00e+00 m 0 548 545 551 0 1096 43.841 1.744 3.320 2 U 2.748e+04 0.00e+00 m 0 548 546 551 0 1105 28.063 8.456 1.893 2 U 2.924e+03 0.00e+00 m 0 544 537 545 0 1106 28.063 4.231 1.893 2 U 7.385e+03 0.00e+00 m 0 544 539 545 0 1107 28.063 2.038 1.893 2 U 1.875e+04 0.00e+00 m 0 544 541 545 0 1108 28.063 1.971 1.893 2 U 2.124e+04 0.00e+00 m 0 544 542 545 0 1109 28.063 3.320 1.893 2 U 1.800e+04 0.00e+00 m 0 544 551 545 0 1111 28.063 1.893 1.893 2 U 4.660e+04 0.00e+00 m 0 544 545 545 0 1112 28.063 1.744 1.893 2 U 2.616e+04 0.00e+00 m 0 544 546 545 0 1113 28.063 8.456 1.744 2 U 2.056e+03 0.00e+00 m 0 544 537 546 0 1114 28.063 4.231 1.744 2 U 5.993e+03 0.00e+00 m 0 544 539 546 0 1115 28.063 2.038 1.744 2 U 1.147e+04 0.00e+00 m 0 544 541 546 0 1116 28.063 1.971 1.744 2 U 1.432e+04 0.00e+00 m 0 544 542 546 0 1117 28.063 3.320 1.744 2 U 1.321e+04 0.00e+00 m 0 544 551 546 0 1119 28.063 1.893 1.744 2 U 2.497e+04 0.00e+00 m 0 544 545 546 0 1120 28.063 1.744 1.744 2 U 3.518e+04 0.00e+00 m 0 544 546 546 0 1121 67.795 8.127 3.878 2 U 8.350e+02 0.00e+00 m 0 564 563 565 0 1122 67.795 3.878 3.878 2 U 3.704e+03 0.00e+00 m 0 564 565 565 0 1123 58.185 8.698 3.952 2 U 1.486e+03 0.00e+00 m 0 577 576 578 0 1124 58.185 3.952 3.952 2 U 4.595e+03 0.00e+00 m 0 577 578 578 0 1125 58.185 1.776 3.952 2 U 2.451e+03 0.00e+00 m 0 577 580 578 0 1126 58.185 1.345 3.952 2 U 1.217e+03 0.00e+00 m 0 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824 839 827 0 1667 32.984 1.550 1.944 2 U 1.843e+04 0.00e+00 m 0 824 831 827 0 1679 29.525 8.447 1.811 2 U 3.474e+03 0.00e+00 m 0 832 821 835 0 1680 29.525 4.373 1.811 2 U 1.661e+04 0.00e+00 m 0 832 823 835 0 1681 29.525 1.944 1.811 2 U 5.763e+04 0.00e+00 m 0 832 827 835 0 1683 29.525 1.811 1.811 2 U -2.234e+06 0.00e+00 m 0 832 835 835 0 1685 29.525 3.123 1.811 2 U 9.937e+04 0.00e+00 m 0 832 839 835 0 1687 29.525 1.550 1.811 2 U 8.317e+04 0.00e+00 m 0 832 831 835 0 1699 42.399 8.447 3.123 2 U 3.157e+03 0.00e+00 m 0 836 821 839 0 1700 42.399 4.373 3.123 2 U 3.446e+03 0.00e+00 m 0 836 823 839 0 1701 42.399 1.944 3.123 2 U 1.788e+04 0.00e+00 m 0 836 827 839 0 1703 42.399 1.811 3.123 2 U 1.518e+05 0.00e+00 m 0 836 835 839 0 1705 42.399 3.123 3.123 2 U 1.200e+06 0.00e+00 m 0 836 839 839 0 1707 42.399 1.550 3.123 2 U 5.335e+04 0.00e+00 m 0 836 831 839 0 1719 24.868 8.447 1.550 2 U 1.660e+03 0.00e+00 m 0 828 821 831 0 1720 24.868 4.373 1.550 2 U 1.298e+04 0.00e+00 m 0 828 823 831 0 1721 24.868 1.944 1.550 2 U 3.472e+04 0.00e+00 m 0 828 827 831 0 1723 24.868 1.811 1.550 2 U 9.500e+04 0.00e+00 m 0 828 835 831 0 1725 24.868 3.123 1.550 2 U 1.904e+04 0.00e+00 m 0 828 839 831 0 1727 24.868 1.550 1.550 2 U 6.489e+05 0.00e+00 m 0 828 831 831 0 1739 53.572 8.546 4.850 2 U 7.040e+02 0.00e+00 m 0 847 846 848 0 1740 53.572 4.850 4.850 2 U 1.800e+05 0.00e+00 m 0 847 848 848 0 1741 53.572 3.007 4.850 2 U 1.375e+04 0.00e+00 m 0 847 850 848 0 1742 53.572 2.932 4.850 2 U 1.340e+04 0.00e+00 m 0 847 851 848 0 1743 53.572 7.813 4.850 2 U 4.320e+02 0.00e+00 m 0 847 855 848 0 1744 53.572 7.113 4.850 2 U 2.310e+02 0.00e+00 m 0 847 856 848 0 1745 38.980 8.546 3.007 2 U 3.860e+02 0.00e+00 m 0 849 846 850 0 1746 38.980 4.850 3.007 2 U 9.373e+03 0.00e+00 m 0 849 848 850 0 1747 38.980 3.007 3.007 2 U 1.021e+05 0.00e+00 m 0 849 850 850 0 1748 38.980 2.932 3.007 2 U 9.795e+04 0.00e+00 m 0 849 851 850 0 1749 38.980 7.813 3.007 2 U 2.457e+03 0.00e+00 m 0 849 855 850 0 1750 38.980 7.113 3.007 2 U 1.415e+03 0.00e+00 m 0 849 856 850 0 1751 38.980 8.546 2.932 2 U 3.520e+02 0.00e+00 m 0 849 846 851 0 1752 38.980 4.850 2.932 2 U 9.703e+03 0.00e+00 m 0 849 848 851 0 1753 38.980 3.007 2.932 2 U 9.551e+04 0.00e+00 m 0 849 850 851 0 1754 38.980 2.932 2.932 2 U 1.090e+05 0.00e+00 m 0 849 851 851 0 1755 38.980 7.813 2.932 2 U 2.634e+03 0.00e+00 m 0 849 855 851 0 1756 38.980 7.113 2.932 2 U 1.243e+03 0.00e+00 m 0 849 856 851 0 1757 59.013 8.389 4.538 2 U 7.350e+02 0.00e+00 m 0 861 860 862 0 1758 59.013 4.538 4.538 2 U 3.036e+05 0.00e+00 m 0 861 862 862 0 1759 59.013 4.038 4.538 2 U 3.463e+04 0.00e+00 m 0 861 866 862 0 1761 64.131 8.389 4.038 2 U 8.900e+02 0.00e+00 m 0 863 860 866 0 1762 64.131 4.538 4.038 2 U 2.098e+04 0.00e+00 m 0 863 862 866 0 1763 64.131 4.038 4.038 2 U 3.712e+05 0.00e+00 m 0 863 866 866 0 1769 56.793 8.514 4.436 2 U 3.925e+03 0.00e+00 m 0 871 870 872 0 1770 56.793 4.436 4.436 2 U 4.011e+05 0.00e+00 m 0 871 872 872 0 1771 56.793 1.977 4.436 2 U 1.700e+04 0.00e+00 m 0 871 874 872 0 1772 56.793 1.857 4.436 2 U 1.064e+04 0.00e+00 m 0 871 875 872 0 1773 56.793 1.812 4.436 2 U 5.897e+03 0.00e+00 m 0 871 884 872 0 1775 56.793 3.123 4.436 2 U 1.460e+03 0.00e+00 m 0 871 888 872 0 1777 56.793 1.581 4.436 2 U 9.634e+03 0.00e+00 m 0 871 880 872 0 1779 33.389 8.514 1.977 2 U 1.217e+03 0.00e+00 m 0 873 870 874 0 1780 33.389 4.436 1.977 2 U 9.010e+03 0.00e+00 m 0 873 872 874 0 1781 33.389 1.977 1.977 2 U 2.465e+05 0.00e+00 m 0 873 874 874 0 1782 33.389 1.857 1.977 2 U 9.088e+04 0.00e+00 m 0 873 875 874 0 1783 33.389 1.812 1.977 2 U 2.310e+04 0.00e+00 m 0 873 884 874 0 1785 33.389 3.123 1.977 2 U 3.072e+03 0.00e+00 m 0 873 888 874 0 1787 33.389 1.581 1.977 2 U 2.455e+04 0.00e+00 m 0 873 880 874 0 1789 33.389 8.514 1.857 2 U 1.528e+03 0.00e+00 m 0 873 870 875 0 1790 33.389 4.436 1.857 2 U 3.772e+03 0.00e+00 m 0 873 872 875 0 1791 33.389 1.977 1.857 2 U 4.621e+04 0.00e+00 m 0 873 874 875 0 1792 33.389 1.857 1.857 2 U 1.371e+05 0.00e+00 m 0 873 875 875 0 1793 33.389 1.812 1.857 2 U 1.016e+05 0.00e+00 m 0 873 884 875 0 1795 33.389 3.123 1.857 2 U 1.385e+03 0.00e+00 m 0 873 888 875 0 1797 33.389 1.581 1.857 2 U 1.622e+04 0.00e+00 m 0 873 880 875 0 1799 29.163 8.514 1.812 2 U 1.815e+03 0.00e+00 m 0 881 870 884 0 1800 29.163 4.436 1.812 2 U 5.399e+03 0.00e+00 m 0 881 872 884 0 1801 29.163 1.977 1.812 2 U 3.300e+04 0.00e+00 m 0 881 874 884 0 1802 29.163 1.857 1.812 2 U 3.604e+05 0.00e+00 m 0 881 875 884 0 1803 29.163 1.812 1.812 2 U -2.938e+06 0.00e+00 m 0 881 884 884 0 1805 29.163 3.123 1.812 2 U 7.226e+04 0.00e+00 m 0 881 888 884 0 1807 29.163 1.581 1.812 2 U 1.314e+05 0.00e+00 m 0 881 880 884 0 1819 42.240 8.514 3.123 2 U 4.300e+03 0.00e+00 m 0 885 870 888 0 1820 42.240 4.436 3.123 2 U 1.212e+03 0.00e+00 m 0 885 872 888 0 1821 42.240 1.977 3.123 2 U 1.322e+04 0.00e+00 m 0 885 874 888 0 1822 42.240 1.857 3.123 2 U 7.908e+04 0.00e+00 m 0 885 875 888 0 1823 42.240 1.812 3.123 2 U 1.518e+05 0.00e+00 m 0 885 884 888 0 1825 42.240 3.123 3.123 2 U 1.200e+06 0.00e+00 m 0 885 888 888 0 1827 42.240 1.581 3.123 2 U 6.763e+04 0.00e+00 m 0 885 880 888 0 1839 25.230 8.514 1.581 2 U 2.727e+03 0.00e+00 m 0 877 870 880 0 1840 25.230 4.436 1.581 2 U 7.112e+03 0.00e+00 m 0 877 872 880 0 1841 25.230 1.977 1.581 2 U 3.890e+04 0.00e+00 m 0 877 874 880 0 1842 25.230 1.857 1.581 2 U 4.634e+04 0.00e+00 m 0 877 875 880 0 1843 25.230 1.812 1.581 2 U 1.333e+05 0.00e+00 m 0 877 884 880 0 1845 25.230 3.123 1.581 2 U 2.680e+04 0.00e+00 m 0 877 888 880 0 1847 25.230 1.581 1.581 2 U 7.723e+05 0.00e+00 m 0 877 880 880 0 1859 56.742 8.383 4.402 2 U 6.861e+03 0.00e+00 m 0 896 895 897 0 1860 56.742 4.402 4.402 2 U 6.684e+05 0.00e+00 m 0 896 897 897 0 1861 56.742 1.871 4.402 2 U 1.035e+04 0.00e+00 m 0 896 899 897 0 1862 56.742 1.929 4.402 2 U 1.772e+04 0.00e+00 m 0 896 900 897 0 1863 56.742 1.811 4.402 2 U 1.181e+04 0.00e+00 m 0 896 909 897 0 1865 56.742 3.124 4.402 2 U 1.662e+03 0.00e+00 m 0 896 913 897 0 1867 56.742 1.565 4.402 2 U 1.170e+04 0.00e+00 m 0 896 905 897 0 1869 33.172 8.383 1.871 2 U 1.914e+03 0.00e+00 m 0 898 895 899 0 1870 33.172 4.402 1.871 2 U 7.146e+03 0.00e+00 m 0 898 897 899 0 1871 33.172 1.871 1.871 2 U 1.249e+05 0.00e+00 m 0 898 899 899 0 1872 33.172 1.929 1.871 2 U 9.525e+04 0.00e+00 m 0 898 900 899 0 1873 33.172 1.811 1.871 2 U 5.553e+04 0.00e+00 m 0 898 909 899 0 1875 33.172 3.124 1.871 2 U 1.273e+03 0.00e+00 m 0 898 913 899 0 1877 33.172 1.565 1.871 2 U 1.541e+04 0.00e+00 m 0 898 905 899 0 1879 33.172 8.383 1.929 2 U 3.902e+03 0.00e+00 m 0 898 895 900 0 1880 33.172 4.402 1.929 2 U 1.859e+04 0.00e+00 m 0 898 897 900 0 1881 33.172 1.871 1.929 2 U 1.429e+05 0.00e+00 m 0 898 899 900 0 1882 33.172 1.929 1.929 2 U 3.145e+05 0.00e+00 m 0 898 900 900 0 1883 33.172 1.811 1.929 2 U 5.405e+04 0.00e+00 m 0 898 909 900 0 1885 33.172 3.124 1.929 2 U 4.050e+03 0.00e+00 m 0 898 913 900 0 1887 33.172 1.565 1.929 2 U 3.504e+04 0.00e+00 m 0 898 905 900 0 1889 29.278 8.383 1.811 2 U 2.490e+02 0.00e+00 m 0 906 895 909 0 1890 29.278 4.402 1.811 2 U 1.118e+04 0.00e+00 m 0 906 897 909 0 1891 29.278 1.871 1.811 2 U 3.604e+05 0.00e+00 m 0 906 899 909 0 1892 29.278 1.929 1.811 2 U 4.435e+04 0.00e+00 m 0 906 900 909 0 1893 29.278 1.811 1.811 2 U -2.938e+06 0.00e+00 m 0 906 909 909 0 1895 29.278 3.124 1.811 2 U 7.226e+04 0.00e+00 m 0 906 913 909 0 1897 29.278 1.565 1.811 2 U 1.314e+05 0.00e+00 m 0 906 905 909 0 1909 42.393 8.383 3.124 2 U 3.076e+03 0.00e+00 m 0 910 895 913 0 1910 42.393 4.402 3.124 2 U 3.630e+03 0.00e+00 m 0 910 897 913 0 1911 42.393 1.871 3.124 2 U 7.908e+04 0.00e+00 m 0 910 899 913 0 1912 42.393 1.929 3.124 2 U 2.986e+04 0.00e+00 m 0 910 900 913 0 1913 42.393 1.811 3.124 2 U 1.518e+05 0.00e+00 m 0 910 909 913 0 1915 42.393 3.124 3.124 2 U 1.200e+06 0.00e+00 m 0 910 913 913 0 1917 42.393 1.565 3.124 2 U 6.763e+04 0.00e+00 m 0 910 905 913 0 1929 24.935 8.383 1.565 2 U 2.550e+03 0.00e+00 m 0 902 895 905 0 1930 24.935 4.402 1.565 2 U 1.281e+04 0.00e+00 m 0 902 897 905 0 1931 24.935 1.871 1.565 2 U 3.868e+04 0.00e+00 m 0 902 899 905 0 1932 24.935 1.929 1.565 2 U 3.966e+04 0.00e+00 m 0 902 900 905 0 1933 24.935 1.811 1.565 2 U 1.271e+05 0.00e+00 m 0 902 909 905 0 1935 24.935 3.124 1.565 2 U 2.490e+04 0.00e+00 m 0 902 913 905 0 1937 24.935 1.565 1.565 2 U 8.371e+05 0.00e+00 m 0 902 905 905 0 1949 52.893 8.515 4.420 2 U 3.811e+03 0.00e+00 m 0 921 920 922 0 1950 52.893 4.420 4.420 2 U 4.865e+05 0.00e+00 m 0 921 922 922 0 1951 52.893 1.515 4.420 2 U 7.983e+04 0.00e+00 m 0 921 923 922 0 1952 19.396 8.515 1.515 2 U 9.634e+03 0.00e+00 m 0 924 920 923 0 1953 19.396 4.420 1.515 2 U 6.390e+04 0.00e+00 m 0 924 922 923 0 1954 19.396 1.515 1.515 2 U 1.631e+06 0.00e+00 m 0 924 923 923 0 1955 61.637 8.262 4.203 2 U 5.061e+03 0.00e+00 m 0 931 930 932 0 1956 61.637 4.203 4.203 2 U 1.586e+05 0.00e+00 m 0 931 932 932 0 1957 61.637 1.949 4.203 2 U 9.123e+03 0.00e+00 m 0 931 934 932 0 1958 61.637 0.978 4.203 2 U 8.123e+03 0.00e+00 m 0 931 944 932 0 1959 61.637 1.592 4.203 2 U 4.834e+03 0.00e+00 m 0 931 941 932 0 1960 61.637 1.302 4.203 2 U 5.318e+03 0.00e+00 m 0 931 942 932 0 1961 61.637 1.004 4.203 2 U 1.374e+04 0.00e+00 m 0 931 935 932 0 1962 38.849 8.262 1.949 2 U 7.464e+03 0.00e+00 m 0 933 930 934 0 1963 38.849 4.203 1.949 2 U 6.138e+03 0.00e+00 m 0 933 932 934 0 1964 38.849 1.949 1.949 2 U 1.442e+05 0.00e+00 m 0 933 934 934 0 1965 38.849 0.978 1.949 2 U 1.210e+04 0.00e+00 m 0 933 944 934 0 1966 38.849 1.592 1.949 2 U 7.339e+03 0.00e+00 m 0 933 941 934 0 1967 38.849 1.302 1.949 2 U 4.402e+03 0.00e+00 m 0 933 942 934 0 1968 38.849 1.004 1.949 2 U 2.034e+04 0.00e+00 m 0 933 935 934 0 1969 13.205 8.262 0.978 2 U 1.502e+03 0.00e+00 m 0 945 930 944 0 1970 13.205 4.203 0.978 2 U 4.408e+03 0.00e+00 m 0 945 932 944 0 1971 13.205 1.949 0.978 2 U 1.377e+04 0.00e+00 m 0 945 934 944 0 1972 13.205 0.978 0.978 2 U 1.269e+06 0.00e+00 m 0 945 944 944 0 1973 13.205 1.592 0.978 2 U 2.497e+04 0.00e+00 m 0 945 941 944 0 1974 13.205 1.302 0.978 2 U 2.172e+04 0.00e+00 m 0 945 942 944 0 1975 13.205 1.004 0.978 2 U 1.134e+06 0.00e+00 m 0 945 935 944 0 1976 27.726 8.262 1.592 2 U 3.426e+03 0.00e+00 m 0 940 930 941 0 1977 27.726 4.203 1.592 2 U 4.243e+03 0.00e+00 m 0 940 932 941 0 1978 27.726 1.949 1.592 2 U 8.680e+03 0.00e+00 m 0 940 934 941 0 1979 27.726 0.978 1.592 2 U 1.484e+04 0.00e+00 m 0 940 944 941 0 1980 27.726 1.592 1.592 2 U 1.542e+05 0.00e+00 m 0 940 941 941 0 1981 27.726 1.302 1.592 2 U 4.653e+04 0.00e+00 m 0 940 942 941 0 1982 27.726 1.004 1.592 2 U 1.836e+04 0.00e+00 m 0 940 935 941 0 1983 27.726 8.262 1.302 2 U 2.948e+03 0.00e+00 m 0 940 930 942 0 1984 27.726 4.203 1.302 2 U 3.942e+03 0.00e+00 m 0 940 932 942 0 1985 27.726 1.949 1.302 2 U 5.190e+03 0.00e+00 m 0 940 934 942 0 1986 27.726 0.978 1.302 2 U 1.525e+04 0.00e+00 m 0 940 944 942 0 1987 27.726 1.592 1.302 2 U 4.525e+04 0.00e+00 m 0 940 941 942 0 1988 27.726 1.302 1.302 2 U 1.378e+05 0.00e+00 m 0 940 942 942 0 1989 27.726 1.004 1.302 2 U 1.970e+04 0.00e+00 m 0 940 935 942 0 1990 17.648 8.262 1.004 2 U 5.921e+03 0.00e+00 m 0 936 930 935 0 1991 17.648 4.203 1.004 2 U 1.470e+04 0.00e+00 m 0 936 932 935 0 1992 17.648 1.949 1.004 2 U 3.668e+04 0.00e+00 m 0 936 934 935 0 1993 17.648 0.978 1.004 2 U 5.301e+05 0.00e+00 m 0 936 944 935 0 1994 17.648 1.592 1.004 2 U 1.346e+04 0.00e+00 m 0 936 941 935 0 1995 17.648 1.302 1.004 2 U 1.999e+04 0.00e+00 m 0 936 942 935 0 1996 17.648 1.004 1.004 2 U 1.283e+06 0.00e+00 m 0 936 935 935 0 1997 56.859 8.650 4.404 2 U 1.791e+04 0.00e+00 m 0 952 951 953 0 1998 56.859 4.404 4.404 2 U 6.684e+05 0.00e+00 m 0 952 953 953 0 1999 56.859 2.173 4.404 2 U 2.680e+04 0.00e+00 m 0 952 955 953 0 2000 56.859 2.060 4.404 2 U 2.176e+04 0.00e+00 m 0 952 956 953 0 2001 30.429 8.650 2.173 2 U 5.206e+03 0.00e+00 m 0 954 951 955 0 2002 30.429 4.404 2.173 2 U 1.756e+04 0.00e+00 m 0 954 953 955 0 2003 30.429 2.173 2.173 2 U 3.615e+05 0.00e+00 m 0 954 955 955 0 2004 30.429 2.060 2.173 2 U 2.044e+05 0.00e+00 m 0 954 956 955 0 2005 30.429 8.650 2.060 2 U 7.760e+03 0.00e+00 m 0 954 951 956 0 2006 30.429 4.404 2.060 2 U 1.741e+04 0.00e+00 m 0 954 953 956 0 2007 30.429 2.173 2.060 2 U 2.309e+05 0.00e+00 m 0 954 955 956 0 2008 30.429 2.060 2.060 2 U 4.828e+05 0.00e+00 m 0 954 956 956 0 2009 54.786 8.472 4.705 2 U 1.986e+04 0.00e+00 m 0 967 966 968 0 2010 54.786 4.705 4.705 2 U 2.661e+05 0.00e+00 m 0 967 968 968 0 2011 54.786 2.798 4.705 2 U 3.454e+04 0.00e+00 m 0 967 972 968 0 2012 41.437 8.472 2.798 2 U 9.884e+03 0.00e+00 m 0 969 966 972 0 2013 41.437 4.705 2.798 2 U 1.968e+04 0.00e+00 m 0 969 968 972 0 2014 41.437 2.798 2.798 2 U 3.790e+05 0.00e+00 m 0 969 972 972 0 2015 45.477 8.469 4.057 2 U 1.525e+04 0.00e+00 m 0 978 977 981 0 2016 45.477 4.057 4.057 2 U 3.826e+05 0.00e+00 m 0 978 981 981 0 2021 60.048 8.111 4.504 2 U 5.174e+03 0.00e+00 m 0 985 984 986 0 2022 60.048 4.504 4.504 2 U 1.138e+05 0.00e+00 m 0 985 986 986 0 2023 60.048 2.174 4.504 2 U 8.385e+03 0.00e+00 m 0 985 988 986 0 2024 60.048 1.071 4.504 2 U 1.327e+04 0.00e+00 m 0 985 989 986 0 2025 60.048 1.018 4.504 2 U 1.477e+04 0.00e+00 m 0 985 990 986 0 2026 32.695 8.111 2.174 2 U 9.544e+03 0.00e+00 m 0 987 984 988 0 2027 32.695 4.504 2.174 2 U 7.112e+03 0.00e+00 m 0 987 986 988 0 2028 32.695 2.174 2.174 2 U 1.465e+05 0.00e+00 m 0 987 988 988 0 2029 32.695 1.071 2.174 2 U 2.166e+04 0.00e+00 m 0 987 989 988 0 2030 32.695 1.018 2.174 2 U 2.330e+04 0.00e+00 m 0 987 990 988 0 2031 21.111 8.111 1.071 2 U 3.885e+03 0.00e+00 m 0 991 984 989 0 2032 21.111 4.504 1.071 2 U 1.342e+04 0.00e+00 m 0 991 986 989 0 2033 21.111 2.174 1.071 2 U 2.574e+04 0.00e+00 m 0 991 988 989 0 2034 21.111 1.071 1.071 2 U 8.587e+05 0.00e+00 m 0 991 989 989 0 2035 21.111 1.018 1.071 2 U 2.331e+05 0.00e+00 m 0 991 990 989 0 2036 20.746 8.111 1.018 2 U 1.604e+04 0.00e+00 m 0 995 984 990 0 2037 20.746 4.504 1.018 2 U 1.618e+04 0.00e+00 m 0 995 986 990 0 2038 20.746 2.174 1.018 2 U 3.209e+04 0.00e+00 m 0 995 988 990 0 2039 20.746 1.071 1.018 2 U 2.276e+05 0.00e+00 m 0 995 989 990 0 2040 20.746 1.018 1.018 2 U 1.209e+06 0.00e+00 m 0 995 990 990 0 2041 63.339 4.523 4.523 2 U 2.152e+05 0.00e+00 m 0 1003 1004 1004 0 2042 63.339 2.389 4.523 2 U 2.503e+04 0.00e+00 m 0 1003 1006 1004 0 2043 63.339 1.971 4.523 2 U 1.130e+04 0.00e+00 m 0 1003 1007 1004 0 2044 63.339 4.008 4.523 2 U 2.297e+03 0.00e+00 m 0 1003 1013 1004 0 2045 63.339 3.766 4.523 2 U 3.072e+03 0.00e+00 m 0 1003 1014 1004 0 2046 63.339 2.131 4.523 2 U 4.874e+03 0.00e+00 m 0 1003 1010 1004 0 2047 63.339 2.084 4.523 2 U 8.067e+03 0.00e+00 m 0 1003 1011 1004 0 2048 32.390 4.523 2.389 2 U 2.690e+04 0.00e+00 m 0 1005 1004 1006 0 2049 32.390 2.389 2.389 2 U 2.374e+05 0.00e+00 m 0 1005 1006 1006 0 2050 32.390 1.971 2.389 2 U 8.330e+04 0.00e+00 m 0 1005 1007 1006 0 2051 32.390 4.008 2.389 2 U 5.881e+03 0.00e+00 m 0 1005 1013 1006 0 2052 32.390 3.766 2.389 2 U 7.169e+03 0.00e+00 m 0 1005 1014 1006 0 2053 32.390 2.131 2.389 2 U 3.009e+04 0.00e+00 m 0 1005 1010 1006 0 2054 32.390 2.084 2.389 2 U 3.118e+04 0.00e+00 m 0 1005 1011 1006 0 2055 32.390 4.523 1.971 2 U 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1.528e+03 0.00e+00 m 0 490 0 491 0 3094 36.355 3.991 2.118 1 U 1.837e+03 0.00e+00 m 0 496 0 497 0 3095 36.355 3.991 2.000 1 U 2.158e+03 0.00e+00 m 0 496 0 498 0 3096 36.355 3.091 2.000 1 U 1.642e+03 0.00e+00 m 0 496 0 498 0 3097 36.355 3.102 2.118 1 U 1.931e+03 0.00e+00 m 0 496 0 497 0 3098 29.939 3.102 1.881 1 U 2.076e+04 0.00e+00 m 0 492 0 495 0 3099 58.807 3.324 4.190 1 U 2.663e+03 0.00e+00 m 0 490 0 491 0 3100 36.355 7.429 2.118 1 U 2.303e+03 0.00e+00 m 0 496 0 497 0 3101 36.355 7.429 2.000 1 U 1.564e+03 0.00e+00 m 0 496 0 498 0 3102 29.939 7.429 1.881 1 U 2.570e+03 0.00e+00 m 0 492 0 495 0 3103 63.089 7.075 3.898 1 U 1.157e+03 0.00e+00 m 0 505 0 506 0 3104 38.783 7.075 3.375 1 U 9.650e+02 0.00e+00 m 0 507 0 508 0 3105 38.783 7.095 3.081 1 U 9.810e+02 0.00e+00 m 0 507 0 509 0 3106 63.089 4.219 3.898 1 U 1.684e+03 0.00e+00 m 0 505 0 506 0 3107 38.783 4.212 3.375 1 U 1.269e+03 0.00e+00 m 0 507 0 508 0 3108 63.089 1.027 3.898 6 U 2.445e+03 0.00e+00 m 0 505 0 506 0 3109 63.089 1.239 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8.710e+02 0.00e+00 m 0 528 0 529 0 3771 62.841 3.953 4.232 1 U 9.620e+02 0.00e+00 m 0 528 0 529 0 3772 62.841 1.529 4.232 1 U 1.792e+03 0.00e+00 m 0 528 0 529 0 3773 59.790 9.185 4.231 1 U 4.870e+02 0.00e+00 m 0 538 0 539 0 3774 28.063 4.196 1.893 1 U 6.492e+03 0.00e+00 m 0 544 0 545 0 3775 28.063 4.196 1.744 1 U 5.503e+03 0.00e+00 m 0 544 0 546 0 3776 43.841 4.196 3.320 1 U 1.191e+04 0.00e+00 m 0 548 0 551 0 3777 67.795 8.024 3.878 1 U 3.520e+02 0.00e+00 m 0 564 0 565 0 3778 67.795 7.655 3.878 1 U 6.190e+02 0.00e+00 m 0 564 0 565 0 3779 22.697 4.191 1.256 1 U 5.399e+03 0.00e+00 m 0 570 0 568 0 3780 58.185 8.453 3.952 1 U 4.360e+02 0.00e+00 m 0 577 0 578 0 3781 58.185 8.622 3.952 1 U 6.410e+02 0.00e+00 m 0 577 0 578 0 3782 58.185 1.717 3.952 1 U 1.261e+03 0.00e+00 m 0 577 0 578 0 3784 59.275 8.690 4.194 1 U 5.090e+02 0.00e+00 m 0 609 0 610 0 3785 59.275 1.785 4.194 1 U 4.686e+03 0.00e+00 m 0 609 0 610 0 3786 59.275 1.933 4.194 1 U 4.385e+03 0.00e+00 m 0 609 0 610 0 3787 30.437 3.874 2.126 1 U 1.106e+03 0.00e+00 m 0 611 0 614 0 3788 27.931 3.874 1.980 1 U 6.490e+02 0.00e+00 m 0 615 0 616 0 3789 27.931 3.874 1.812 1 U 7.830e+02 0.00e+00 m 0 615 0 617 0 3790 43.800 3.874 3.294 1 U 1.160e+02 0.00e+00 m 0 619 0 620 0 3791 43.800 3.874 3.376 1 U 7.660e+02 0.00e+00 m 0 619 0 621 0 3792 58.193 1.654 4.224 1 U 2.908e+03 0.00e+00 m 0 657 0 658 0 3793 58.193 1.557 4.224 1 U 3.285e+03 0.00e+00 m 0 657 0 658 0 3794 58.750 7.911 4.224 1 U 2.719e+03 0.00e+00 m 0 675 0 676 0 3795 58.750 8.224 4.224 1 U 7.385e+03 0.00e+00 m 0 675 0 676 0 3796 27.701 4.198 1.930 1 U 4.317e+03 0.00e+00 m 0 681 0 682 0 3797 27.701 4.198 1.784 1 U 7.964e+03 0.00e+00 m 0 681 0 683 0 3798 43.861 4.198 3.338 1 U 1.189e+04 0.00e+00 m 0 685 0 688 0 3799 58.158 8.156 4.305 1 U 2.960e+03 0.00e+00 m 0 711 0 712 0 3800 58.158 8.324 4.305 1 U 1.568e+03 0.00e+00 m 0 711 0 712 0 3801 58.158 2.182 4.305 1 U 3.550e+03 0.00e+00 m 0 711 0 712 0 3802 58.158 2.428 4.305 1 U 1.761e+03 0.00e+00 m 0 711 0 712 0 3803 58.158 2.530 4.305 1 U 2.087e+03 0.00e+00 m 0 711 0 712 0 3804 58.158 4.228 4.305 1 U 5.664e+03 0.00e+00 m 0 711 0 712 0 3805 42.135 4.228 3.115 1 U 1.697e+03 0.00e+00 m 0 725 0 728 0 3806 57.850 8.156 4.316 1 U 3.919e+03 0.00e+00 m 0 736 0 737 0 3807 57.850 7.963 4.316 1 U 7.540e+02 0.00e+00 m 0 736 0 737 0 3808 57.850 8.324 4.316 1 U 2.900e+03 0.00e+00 m 0 736 0 737 0 3809 57.850 8.391 4.316 1 U 1.488e+03 0.00e+00 m 0 736 0 737 0 3810 57.850 1.606 4.316 1 U 5.487e+03 0.00e+00 m 0 736 0 737 0 3812 57.850 1.576 4.316 1 U 6.516e+03 0.00e+00 m 0 736 0 737 0 3814 57.850 1.984 4.316 1 U 2.198e+04 0.00e+00 m 0 736 0 737 0 3815 57.850 1.924 4.316 1 U 1.012e+04 0.00e+00 m 0 736 0 737 0 3816 57.850 4.223 4.316 1 U 7.521e+03 0.00e+00 m 0 736 0 737 0 3817 27.694 4.225 1.882 1 U 5.961e+03 0.00e+00 m 0 742 0 743 0 3818 19.396 2.391 1.515 1 U 3.658e+03 0.00e+00 m 0 924 0 923 0 3819 32.119 1.007 2.405 1 U 8.700e+02 0.00e+00 m 0 1039 0 1040 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . . 70 ppm . . . 43 . . 30493 3 2 . . H 1 H . . 14 ppm . . . 4.8 . . 30493 3 3 . . H 1 H . . 14 ppm . . . 4.8 . . 30493 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 30493 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details 'Analysis; Chemical shift assignment.' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 15N #INAME 2 H1 #INAME 3 1H 2 124.200 8.357 8.873 1 U -1.107e+04 0.00e+00 m 0 34 20 35 0 3 124.200 4.409 8.873 1 U -1.580e+05 0.00e+00 m 0 34 22 35 0 4 124.781 8.873 8.633 1 U -3.527e+04 0.00e+00 m 0 49 35 50 0 5 124.781 4.461 8.633 1 U -1.100e+05 0.00e+00 m 0 49 37 50 0 6 124.781 2.159 8.633 1 U -4.930e+04 0.00e+00 m 0 49 39 50 0 7 124.781 2.054 8.633 1 U -2.936e+04 0.00e+00 m 0 49 40 50 0 8 124.781 2.388 8.633 1 U -2.918e+04 0.00e+00 m 0 49 45 50 0 10 117.036 8.633 8.505 1 U -2.981e+04 0.00e+00 m 0 71 50 72 0 11 117.036 4.498 8.505 1 U -1.828e+05 0.00e+00 m 0 71 52 72 0 12 117.036 1.804 8.505 1 U -3.064e+03 0.00e+00 m 0 71 54 72 0 13 117.036 1.714 8.505 1 U -1.904e+04 0.00e+00 m 0 71 55 72 0 14 117.036 1.046 8.505 1 U 1.652e+03 0.00e+00 m 0 71 59 72 0 15 117.036 0.986 8.505 1 U -3.193e+03 0.00e+00 m 0 71 60 72 0 16 117.036 1.759 8.505 1 U -1.704e+04 0.00e+00 m 0 71 58 72 0 17 111.393 8.505 8.573 1 U -2.423e+04 0.00e+00 m 0 81 72 82 0 18 111.393 4.524 8.573 1 U -5.431e+04 0.00e+00 m 0 81 74 82 0 19 111.393 4.021 8.573 1 U -4.756e+04 0.00e+00 m 0 81 76 82 0 20 111.393 3.993 8.573 1 U -4.326e+04 0.00e+00 m 0 81 77 82 0 21 122.737 8.573 8.149 1 U -2.050e+04 0.00e+00 m 0 88 82 89 0 22 122.737 4.139 8.149 1 U -1.340e+05 0.00e+00 m 0 88 84 89 0 23 122.737 4.031 8.149 1 U -1.697e+05 0.00e+00 m 0 88 85 89 0 24 123.567 4.577 8.685 1 U -2.411e+05 0.00e+00 m 0 129 116 130 0 25 123.567 2.399 8.685 1 U -7.790e+04 0.00e+00 m 0 129 118 130 0 26 123.567 1.982 8.685 1 U -7.199e+04 0.00e+00 m 0 129 119 130 0 27 123.567 3.980 8.685 1 U -1.966e+04 0.00e+00 m 0 129 125 130 0 28 123.567 3.761 8.685 1 U -1.123e+04 0.00e+00 m 0 129 126 130 0 29 123.567 2.133 8.685 1 U -2.227e+04 0.00e+00 m 0 129 122 130 0 30 123.567 2.077 8.685 1 U -3.240e+04 0.00e+00 m 0 129 123 130 0 31 120.486 8.685 9.165 1 U -1.891e+04 0.00e+00 m 0 151 130 152 0 32 120.486 4.627 9.165 1 U -1.327e+05 0.00e+00 m 0 151 132 152 0 33 120.486 1.668 9.165 1 U -4.139e+04 0.00e+00 m 0 151 136 152 0 35 120.486 0.937 9.165 1 U -7.472e+04 0.00e+00 m 0 151 139 152 0 36 120.486 0.951 9.165 1 U -7.472e+04 0.00e+00 m 0 151 140 152 0 37 120.486 1.854 9.165 1 U -2.195e+04 0.00e+00 m 0 151 138 152 0 38 123.130 9.165 9.116 1 U -1.593e+04 0.00e+00 m 0 161 152 162 0 39 123.130 4.608 9.116 1 U -3.427e+04 0.00e+00 m 0 161 154 162 0 40 123.130 4.527 9.116 1 U -2.156e+04 0.00e+00 m 0 161 156 162 0 41 123.130 4.201 9.116 1 U -2.783e+04 0.00e+00 m 0 161 157 162 0 42 120.917 9.116 8.779 1 U -2.314e+04 0.00e+00 m 0 184 162 185 0 43 120.917 4.218 8.779 1 U -4.538e+04 0.00e+00 m 0 184 164 185 0 44 120.917 3.370 8.779 1 U -3.531e+04 0.00e+00 m 0 184 166 185 0 45 120.917 3.176 8.779 1 U -5.315e+04 0.00e+00 m 0 184 167 185 0 46 119.527 8.779 8.046 1 U -3.272e+04 0.00e+00 m 0 194 185 195 0 47 119.527 4.139 8.046 1 U -4.936e+04 0.00e+00 m 0 194 187 195 0 48 119.527 1.583 8.046 1 U -8.330e+04 0.00e+00 m 0 194 188 195 0 49 121.560 8.046 8.559 1 U -5.039e+04 0.00e+00 m 0 209 195 210 0 50 121.560 4.091 8.559 1 U -3.313e+04 0.00e+00 m 0 209 197 210 0 51 121.560 2.089 8.559 1 U -6.481e+04 0.00e+00 m 0 209 199 210 0 52 121.560 2.500 8.559 1 U -1.287e+04 0.00e+00 m 0 209 203 210 0 53 121.560 2.372 8.559 1 U -3.840e+04 0.00e+00 m 0 209 204 210 0 54 119.171 8.559 8.306 1 U -5.572e+04 0.00e+00 m 0 234 210 235 0 55 119.171 3.914 8.306 1 U -3.259e+04 0.00e+00 m 0 234 212 235 0 56 119.171 2.028 8.306 1 U -1.774e+05 0.00e+00 m 0 234 214 235 0 57 119.171 1.878 8.306 1 U -4.885e+04 0.00e+00 m 0 234 215 235 0 58 119.171 1.763 8.306 1 U -3.295e+04 0.00e+00 m 0 234 224 235 0 60 119.171 3.031 8.306 1 U -4.522e+03 0.00e+00 m 0 234 226 235 0 61 119.171 2.952 8.306 1 U -5.069e+03 0.00e+00 m 0 234 227 235 0 62 119.171 1.663 8.306 1 U -2.407e+04 0.00e+00 m 0 234 218 235 0 63 119.171 1.307 8.306 1 U -7.044e+03 0.00e+00 m 0 234 219 235 0 64 120.436 8.306 7.899 1 U -7.983e+04 0.00e+00 m 0 249 235 250 0 65 120.436 3.978 7.899 1 U -3.118e+04 0.00e+00 m 0 249 237 250 0 66 120.436 2.123 7.899 1 U -1.180e+05 0.00e+00 m 0 249 239 250 0 67 120.436 2.040 7.899 1 U -1.609e+05 0.00e+00 m 0 249 240 250 0 68 120.436 1.984 7.899 1 U -1.052e+05 0.00e+00 m 0 249 243 250 0 69 120.436 2.168 7.899 1 U -5.845e+04 0.00e+00 m 0 249 244 250 0 70 121.929 7.899 8.078 1 U -4.885e+04 0.00e+00 m 0 274 250 275 0 71 121.929 4.230 8.078 1 U -6.454e+04 0.00e+00 m 0 274 252 275 0 72 121.929 2.093 8.078 1 U -8.908e+04 0.00e+00 m 0 274 254 275 0 73 121.929 2.022 8.078 1 U -1.142e+05 0.00e+00 m 0 274 255 275 0 74 121.929 1.873 8.078 1 U -3.040e+04 0.00e+00 m 0 274 264 275 0 76 121.929 3.072 8.078 1 U -2.124e+03 0.00e+00 m 0 274 268 275 0 78 121.929 1.729 8.078 1 U -3.009e+04 0.00e+00 m 0 274 258 275 0 79 121.929 1.611 8.078 1 U -1.788e+04 0.00e+00 m 0 274 259 275 0 80 120.452 8.078 8.329 1 U -4.711e+04 0.00e+00 m 0 296 275 297 0 81 120.452 4.250 8.329 1 U -4.101e+04 0.00e+00 m 0 296 277 297 0 82 120.452 2.245 8.329 1 U -3.458e+04 0.00e+00 m 0 296 279 297 0 83 120.452 1.842 8.329 1 U -3.749e+04 0.00e+00 m 0 296 280 297 0 84 120.452 1.034 8.329 1 U -3.818e+04 0.00e+00 m 0 296 284 297 0 85 120.452 0.942 8.329 1 U -3.036e+04 0.00e+00 m 0 296 285 297 0 86 120.452 2.046 8.329 1 U -1.262e+05 0.00e+00 m 0 296 283 297 0 87 121.852 8.329 8.284 1 U -3.090e+05 0.00e+00 m 0 321 297 322 0 88 121.852 3.957 8.284 1 U -3.218e+04 0.00e+00 m 0 321 299 322 0 89 121.852 2.043 8.284 1 U -1.196e+05 0.00e+00 m 0 321 303 322 0 90 121.852 1.805 8.284 1 U -3.513e+04 0.00e+00 m 0 321 309 322 0 91 121.852 3.046 8.284 1 U 9.300e+01 0.00e+00 m 0 321 313 322 0 92 121.852 1.782 8.284 1 U -4.679e+04 0.00e+00 m 0 321 305 322 0 93 121.852 1.485 8.284 1 U -7.235e+04 0.00e+00 m 0 321 306 322 0 94 123.716 8.284 8.203 1 U -8.330e+04 0.00e+00 m 0 336 322 337 0 95 123.716 4.262 8.203 1 U -7.599e+04 0.00e+00 m 0 336 324 337 0 96 123.716 2.347 8.203 1 U -6.763e+04 0.00e+00 m 0 336 326 337 0 97 123.716 2.270 8.203 1 U -9.782e+04 0.00e+00 m 0 336 327 337 0 98 123.716 2.590 8.203 1 U -1.221e+04 0.00e+00 m 0 336 330 337 0 99 123.716 2.365 8.203 1 U -4.776e+04 0.00e+00 m 0 336 331 337 0 100 119.982 8.203 8.556 1 U -4.377e+04 0.00e+00 m 0 361 337 362 0 101 119.982 4.492 8.556 1 U -2.574e+04 0.00e+00 m 0 361 339 362 0 102 119.982 2.293 8.556 1 U -2.809e+04 0.00e+00 m 0 361 341 362 0 103 119.982 2.134 8.556 1 U -4.525e+04 0.00e+00 m 0 361 342 362 0 104 119.982 1.893 8.556 1 U -6.090e+04 0.00e+00 m 0 361 349 362 0 105 119.982 1.855 8.556 1 U -3.708e+04 0.00e+00 m 0 361 350 362 0 106 119.982 3.087 8.556 1 U -7.567e+03 0.00e+00 m 0 361 355 362 0 108 119.982 1.571 8.556 1 U -1.804e+04 0.00e+00 m 0 361 345 362 0 109 119.982 1.741 8.556 1 U -6.654e+04 0.00e+00 m 0 361 346 362 0 110 120.436 8.556 7.794 1 U -6.117e+04 0.00e+00 m 0 383 362 384 0 111 120.436 4.104 7.794 1 U -2.468e+04 0.00e+00 m 0 383 364 384 0 112 120.436 2.053 7.794 1 U -5.872e+04 0.00e+00 m 0 383 366 384 0 113 120.436 1.728 7.794 1 U -2.381e+05 0.00e+00 m 0 383 367 384 0 114 120.436 0.723 7.794 1 U -1.996e+04 0.00e+00 m 0 383 371 384 0 115 120.436 0.436 7.794 1 U -1.313e+04 0.00e+00 m 0 383 372 384 0 116 120.436 1.903 7.794 1 U -3.081e+04 0.00e+00 m 0 383 370 384 0 117 121.906 7.794 8.474 1 U -4.653e+04 0.00e+00 m 0 393 384 394 0 118 121.906 4.337 8.474 1 U -2.732e+04 0.00e+00 m 0 393 386 394 0 119 121.906 1.726 8.474 1 U -8.047e+04 0.00e+00 m 0 393 387 394 0 120 121.381 8.474 9.200 1 U -3.831e+04 0.00e+00 m 0 416 394 417 0 121 121.381 4.503 9.200 1 U -2.986e+04 0.00e+00 m 0 416 396 417 0 122 121.381 3.556 9.200 1 U -3.304e+04 0.00e+00 m 0 416 400 417 0 124 119.630 9.200 8.530 1 U -3.440e+04 0.00e+00 m 0 438 417 439 0 125 119.630 3.993 8.530 1 U -4.210e+04 0.00e+00 m 0 438 419 439 0 126 119.630 2.536 8.530 1 U -1.809e+04 0.00e+00 m 0 438 421 439 0 127 119.630 1.571 8.530 1 U -2.436e+04 0.00e+00 m 0 438 422 439 0 128 119.630 1.241 8.530 1 U -1.511e+04 0.00e+00 m 0 438 426 439 0 129 119.630 1.044 8.530 1 U -1.468e+04 0.00e+00 m 0 438 427 439 0 130 119.630 2.470 8.530 1 U -1.750e+04 0.00e+00 m 0 438 425 439 0 131 121.758 8.530 7.917 1 U -4.955e+04 0.00e+00 m 0 463 439 464 0 132 121.758 3.983 7.917 1 U -2.699e+04 0.00e+00 m 0 463 441 464 0 133 121.758 2.122 7.917 1 U -1.931e+05 0.00e+00 m 0 463 445 464 0 135 121.758 1.812 7.917 1 U -3.036e+04 0.00e+00 m 0 463 453 464 0 137 121.758 3.052 7.917 1 U -7.740e+02 0.00e+00 m 0 463 457 464 0 139 121.758 1.495 7.917 1 U -1.192e+04 0.00e+00 m 0 463 447 464 0 140 121.758 1.697 7.917 1 U -4.499e+04 0.00e+00 m 0 463 448 464 0 141 121.947 7.917 8.827 1 U -4.364e+04 0.00e+00 m 0 488 464 489 0 142 121.947 4.259 8.827 1 U -3.827e+04 0.00e+00 m 0 488 466 489 0 143 121.947 2.022 8.827 1 U -4.460e+04 0.00e+00 m 0 488 468 489 0 144 121.947 2.096 8.827 1 U -1.019e+05 0.00e+00 m 0 488 469 489 0 145 121.947 1.850 8.827 1 U -4.962e+04 0.00e+00 m 0 488 478 489 0 147 121.947 3.098 8.827 1 U -9.839e+03 0.00e+00 m 0 488 482 489 0 149 121.947 1.739 8.827 1 U -1.922e+04 0.00e+00 m 0 488 472 489 0 150 121.947 1.579 8.827 1 U -1.666e+04 0.00e+00 m 0 488 473 489 0 151 125.885 8.827 9.179 1 U -2.474e+04 0.00e+00 m 0 503 489 504 0 152 125.885 4.193 9.179 1 U -3.077e+04 0.00e+00 m 0 503 491 504 0 153 125.885 1.893 9.179 1 U -3.163e+04 0.00e+00 m 0 503 495 504 0 155 125.885 2.090 9.179 1 U -2.770e+04 0.00e+00 m 0 503 497 504 0 156 125.885 2.000 9.179 1 U -1.777e+04 0.00e+00 m 0 503 498 504 0 157 115.549 9.179 8.380 1 U -3.927e+04 0.00e+00 m 0 526 504 527 0 158 115.549 3.910 8.380 1 U -2.272e+04 0.00e+00 m 0 526 506 527 0 159 115.549 3.367 8.380 1 U -3.018e+04 0.00e+00 m 0 526 508 527 0 160 115.549 3.080 8.380 1 U -2.208e+04 0.00e+00 m 0 526 509 527 0 161 122.330 8.380 8.454 1 U -6.272e+04 0.00e+00 m 0 536 527 537 0 162 122.330 4.230 8.454 1 U -1.511e+05 0.00e+00 m 0 536 529 537 0 163 119.674 8.454 8.127 1 U -3.486e+04 0.00e+00 m 0 562 537 563 0 164 119.674 4.221 8.127 1 U -6.499e+04 0.00e+00 m 0 562 539 563 0 165 119.674 2.038 8.127 1 U -3.508e+04 0.00e+00 m 0 562 541 563 0 166 119.674 1.971 8.127 1 U -3.586e+04 0.00e+00 m 0 562 542 563 0 167 119.674 3.312 8.127 1 U -4.306e+03 0.00e+00 m 0 562 551 563 0 169 119.674 1.891 8.127 1 U -2.362e+04 0.00e+00 m 0 562 545 563 0 170 119.674 1.745 8.127 1 U -1.734e+04 0.00e+00 m 0 562 546 563 0 171 123.831 8.127 8.691 1 U -2.877e+04 0.00e+00 m 0 575 563 576 0 172 123.831 3.878 8.691 1 U -1.226e+04 0.00e+00 m 0 575 565 576 0 173 120.337 8.691 8.021 1 U -5.380e+04 0.00e+00 m 0 597 576 598 0 174 120.337 3.952 8.021 1 U -2.574e+04 0.00e+00 m 0 597 578 598 0 175 120.337 1.776 8.021 1 U -4.750e+04 0.00e+00 m 0 597 580 598 0 176 120.337 1.341 8.021 1 U -2.735e+04 0.00e+00 m 0 597 581 598 0 177 120.337 0.936 8.021 1 U -3.786e+04 0.00e+00 m 0 597 585 598 0 178 120.337 0.989 8.021 1 U -3.200e+04 0.00e+00 m 0 597 586 598 0 179 120.337 1.524 8.021 1 U -2.757e+04 0.00e+00 m 0 597 584 598 0 180 118.698 8.021 7.657 1 U -7.553e+04 0.00e+00 m 0 607 598 608 0 181 118.698 4.282 7.657 1 U -3.868e+04 0.00e+00 m 0 607 600 608 0 182 118.698 1.610 7.657 1 U -8.150e+04 0.00e+00 m 0 607 601 608 0 183 120.860 7.657 7.909 1 U -4.403e+04 0.00e+00 m 0 633 608 634 0 184 120.860 4.194 7.909 1 U 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123.130 9.116 9.116 1 U -3.127e+04 0.00e+00 m 0 161 162 162 0 428 123.130 4.218 9.116 1 U -3.086e+04 0.00e+00 m 0 161 164 162 0 429 123.130 3.370 9.116 1 U -2.827e+04 0.00e+00 m 0 161 166 162 0 430 123.130 3.176 9.116 1 U -3.027e+04 0.00e+00 m 0 161 167 162 0 431 120.917 8.779 8.779 1 U -2.261e+05 0.00e+00 m 0 184 185 185 0 432 120.917 4.139 8.779 1 U -8.638e+04 0.00e+00 m 0 184 187 185 0 433 120.917 1.583 8.779 1 U -2.070e+05 0.00e+00 m 0 184 188 185 0 434 119.527 8.046 8.046 1 U -2.520e+05 0.00e+00 m 0 194 195 195 0 435 119.527 4.091 8.046 1 U -6.308e+04 0.00e+00 m 0 194 197 195 0 436 119.527 2.089 8.046 1 U -6.172e+04 0.00e+00 m 0 194 199 195 0 437 119.527 2.500 8.046 1 U -4.615e+04 0.00e+00 m 0 194 203 195 0 438 119.527 2.372 8.046 1 U -8.947e+04 0.00e+00 m 0 194 204 195 0 439 121.560 8.559 8.559 1 U -2.064e+05 0.00e+00 m 0 209 210 210 0 440 121.560 3.914 8.559 1 U -3.818e+04 0.00e+00 m 0 209 212 210 0 441 121.560 2.028 8.559 1 U -8.972e+04 0.00e+00 m 0 209 214 210 0 442 121.560 1.878 8.559 1 U -5.608e+04 0.00e+00 m 0 209 215 210 0 443 121.560 1.763 8.559 1 U -3.090e+04 0.00e+00 m 0 209 224 210 0 445 121.560 3.031 8.559 1 U -1.022e+04 0.00e+00 m 0 209 226 210 0 446 121.560 2.952 8.559 1 U -9.010e+03 0.00e+00 m 0 209 227 210 0 447 121.560 1.663 8.559 1 U -6.044e+04 0.00e+00 m 0 209 218 210 0 448 121.560 1.307 8.559 1 U -2.153e+04 0.00e+00 m 0 209 219 210 0 449 119.171 8.306 8.306 1 U -3.358e+05 0.00e+00 m 0 234 235 235 0 450 119.171 3.978 8.306 1 U -6.308e+04 0.00e+00 m 0 234 237 235 0 451 119.171 2.123 8.306 1 U -1.044e+05 0.00e+00 m 0 234 239 235 0 452 119.171 2.040 8.306 1 U -1.774e+05 0.00e+00 m 0 234 240 235 0 453 119.171 1.984 8.306 1 U -1.140e+05 0.00e+00 m 0 234 243 235 0 454 119.171 2.168 8.306 1 U -1.134e+05 0.00e+00 m 0 234 244 235 0 455 120.436 7.899 7.899 1 U -3.239e+05 0.00e+00 m 0 249 250 250 0 456 120.436 4.230 7.899 1 U -8.291e+04 0.00e+00 m 0 249 252 250 0 457 120.436 2.093 7.899 1 U -1.354e+05 0.00e+00 m 0 249 254 250 0 458 120.436 2.022 7.899 1 U -1.609e+05 0.00e+00 m 0 249 255 250 0 459 120.436 1.873 7.899 1 U -2.757e+04 0.00e+00 m 0 249 264 250 0 461 120.436 3.072 7.899 1 U -7.601e+03 0.00e+00 m 0 249 268 250 0 463 120.436 1.729 7.899 1 U -7.353e+04 0.00e+00 m 0 249 258 250 0 464 120.436 1.611 7.899 1 U -6.135e+04 0.00e+00 m 0 249 259 250 0 465 121.929 8.078 8.078 1 U -5.934e+05 0.00e+00 m 0 274 275 275 0 466 121.929 4.250 8.078 1 U -6.281e+04 0.00e+00 m 0 274 277 275 0 467 121.929 2.245 8.078 1 U -4.004e+04 0.00e+00 m 0 274 279 275 0 468 121.929 1.842 8.078 1 U -3.572e+04 0.00e+00 m 0 274 280 275 0 469 121.929 1.034 8.078 1 U -9.448e+04 0.00e+00 m 0 274 284 275 0 470 121.929 0.942 8.078 1 U -5.174e+04 0.00e+00 m 0 274 285 275 0 471 121.929 2.046 8.078 1 U -1.142e+05 0.00e+00 m 0 274 283 275 0 472 120.452 8.329 8.329 1 U -3.440e+05 0.00e+00 m 0 296 297 297 0 473 120.452 3.957 8.329 1 U -5.258e+04 0.00e+00 m 0 296 299 297 0 474 120.452 2.043 8.329 1 U -1.262e+05 0.00e+00 m 0 296 303 297 0 475 120.452 1.805 8.329 1 U 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439 0 526 121.758 7.917 7.917 1 U -2.531e+05 0.00e+00 m 0 463 464 464 0 527 121.758 4.259 7.917 1 U -8.523e+04 0.00e+00 m 0 463 466 464 0 528 121.758 2.022 7.917 1 U -7.362e+04 0.00e+00 m 0 463 468 464 0 529 121.758 2.096 7.917 1 U -2.103e+05 0.00e+00 m 0 463 469 464 0 530 121.758 1.850 7.917 1 U -4.011e+04 0.00e+00 m 0 463 478 464 0 532 121.758 3.098 7.917 1 U -8.975e+03 0.00e+00 m 0 463 482 464 0 534 121.758 1.739 7.917 1 U -5.103e+04 0.00e+00 m 0 463 472 464 0 535 121.758 1.579 7.917 1 U -3.031e+04 0.00e+00 m 0 463 473 464 0 536 121.947 8.827 8.827 1 U -1.617e+05 0.00e+00 m 0 488 489 489 0 537 121.947 4.193 8.827 1 U -6.481e+04 0.00e+00 m 0 488 491 489 0 538 121.947 1.893 8.827 1 U -7.799e+04 0.00e+00 m 0 488 495 489 0 540 121.947 2.090 8.827 1 U -1.019e+05 0.00e+00 m 0 488 497 489 0 541 121.947 2.000 8.827 1 U -4.743e+04 0.00e+00 m 0 488 498 489 0 542 125.885 9.179 9.179 1 U -1.191e+05 0.00e+00 m 0 503 504 504 0 543 125.885 3.910 9.179 1 U -3.427e+04 0.00e+00 m 0 503 506 504 0 544 125.885 3.367 9.179 1 U -3.118e+04 0.00e+00 m 0 503 508 504 0 545 125.885 3.080 9.179 1 U -3.486e+04 0.00e+00 m 0 503 509 504 0 546 115.549 8.380 8.380 1 U -1.923e+05 0.00e+00 m 0 526 527 527 0 547 115.549 4.230 8.380 1 U -1.453e+05 0.00e+00 m 0 526 529 527 0 548 122.330 8.454 8.454 1 U -6.468e+05 0.00e+00 m 0 536 537 537 0 549 122.330 4.221 8.454 1 U -1.511e+05 0.00e+00 m 0 536 539 537 0 550 122.330 2.038 8.454 1 U -9.320e+04 0.00e+00 m 0 536 541 537 0 551 122.330 1.971 8.454 1 U -7.508e+04 0.00e+00 m 0 536 542 537 0 552 122.330 3.312 8.454 1 U -2.868e+04 0.00e+00 m 0 536 551 537 0 554 122.330 1.891 8.454 1 U -6.299e+04 0.00e+00 m 0 536 545 537 0 555 122.330 1.745 8.454 1 U -4.287e+04 0.00e+00 m 0 536 546 537 0 556 119.674 8.127 8.127 1 U -1.173e+05 0.00e+00 m 0 562 563 563 0 557 119.674 3.878 8.127 1 U -3.359e+04 0.00e+00 m 0 562 565 563 0 558 123.831 8.691 8.691 1 U -4.057e+05 0.00e+00 m 0 575 576 576 0 559 123.831 3.952 8.691 1 U -3.350e+04 0.00e+00 m 0 575 578 576 0 560 123.831 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122.330 8.691 8.454 3 U -3.636e+04 0.00e+00 m 0 536 576 537 0 874 119.674 4.230 8.127 3 U -6.499e+04 0.00e+00 m 0 562 529 563 0 875 119.674 8.380 8.127 3 U -1.046e+04 0.00e+00 m 0 562 527 563 0 876 119.674 3.910 8.127 3 U -2.767e+04 0.00e+00 m 0 562 506 563 0 877 119.674 4.193 8.127 3 U -5.663e+04 0.00e+00 m 0 562 491 563 0 878 119.674 8.021 8.127 3 U -2.384e+04 0.00e+00 m 0 562 598 563 0 879 123.831 4.221 8.691 3 U -3.991e+04 0.00e+00 m 0 575 539 576 0 880 123.831 8.454 8.691 3 U -6.958e+03 0.00e+00 m 0 575 537 576 0 881 123.831 4.230 8.691 3 U -3.991e+04 0.00e+00 m 0 575 529 576 0 882 123.831 3.910 8.691 3 U -3.113e+04 0.00e+00 m 0 575 506 576 0 883 123.831 7.657 8.691 3 U -6.427e+03 0.00e+00 m 0 575 608 576 0 884 120.337 8.127 8.021 3 U -3.813e+04 0.00e+00 m 0 597 563 598 0 885 120.337 4.221 8.021 3 U -8.574e+04 0.00e+00 m 0 597 539 598 0 886 120.337 4.230 8.021 3 U -8.574e+04 0.00e+00 m 0 597 529 598 0 887 120.337 7.909 8.021 3 U -2.523e+04 0.00e+00 m 0 597 634 598 0 888 118.698 3.952 7.657 3 U -9.884e+03 0.00e+00 m 0 607 578 608 0 889 118.698 8.691 7.657 3 U -1.532e+04 0.00e+00 m 0 607 576 608 0 890 118.698 4.221 7.657 3 U -6.554e+04 0.00e+00 m 0 607 539 608 0 891 118.698 8.622 7.657 3 U -1.452e+04 0.00e+00 m 0 607 656 608 0 892 120.860 4.282 7.909 3 U -3.522e+04 0.00e+00 m 0 633 600 634 0 893 120.860 8.021 7.909 3 U -2.868e+04 0.00e+00 m 0 633 598 634 0 894 120.860 3.952 7.909 3 U -2.900e+04 0.00e+00 m 0 633 578 634 0 895 120.860 8.210 7.909 3 U -5.103e+04 0.00e+00 m 0 633 674 634 0 896 119.011 4.194 8.622 3 U -5.754e+04 0.00e+00 m 0 655 610 656 0 897 119.011 7.657 8.622 3 U -6.749e+03 0.00e+00 m 0 655 608 656 0 898 119.011 4.282 8.622 3 U -5.103e+04 0.00e+00 m 0 655 600 656 0 899 119.011 3.952 8.622 3 U -1.102e+04 0.00e+00 m 0 655 578 656 0 900 119.011 7.965 8.622 3 U -1.882e+04 0.00e+00 m 0 655 700 656 0 901 120.475 4.148 8.210 3 U -2.442e+04 0.00e+00 m 0 673 636 674 0 902 120.475 7.909 8.210 3 U -3.836e+04 0.00e+00 m 0 673 634 674 0 903 120.475 4.194 8.210 3 U -8.947e+04 0.00e+00 m 0 673 610 674 0 904 120.475 4.282 8.210 3 U -8.124e+04 0.00e+00 m 0 673 600 674 0 905 120.475 8.211 8.210 3 U -4.603e+05 0.00e+00 m 0 673 710 674 0 906 123.306 4.235 7.965 3 U -6.844e+04 0.00e+00 m 0 699 658 700 0 907 123.306 8.622 7.965 3 U -1.359e+04 0.00e+00 m 0 699 656 700 0 908 123.306 4.148 7.965 3 U -2.102e+04 0.00e+00 m 0 699 636 700 0 909 123.306 4.194 7.965 3 U -5.187e+04 0.00e+00 m 0 699 610 700 0 910 123.306 8.256 7.965 3 U -4.158e+04 0.00e+00 m 0 699 735 700 0 911 120.730 4.226 8.211 3 U -1.294e+05 0.00e+00 m 0 709 676 710 0 912 120.730 8.210 8.211 3 U -7.044e+05 0.00e+00 m 0 709 674 710 0 913 120.730 4.235 8.211 3 U -1.294e+05 0.00e+00 m 0 709 658 710 0 914 120.730 4.148 8.211 3 U -3.040e+04 0.00e+00 m 0 709 636 710 0 915 121.725 4.418 8.256 3 U -7.390e+04 0.00e+00 m 0 734 702 735 0 916 121.725 7.965 8.256 3 U -6.990e+03 0.00e+00 m 0 734 700 735 0 917 121.725 4.226 8.256 3 U -1.525e+04 0.00e+00 m 0 734 676 735 0 918 121.725 4.235 8.256 3 U -1.525e+04 0.00e+00 m 0 734 658 735 0 921 124.200 8.873 8.873 1 U -1.551e+06 0.00e+00 m 0 34 35 35 0 923 124.781 8.633 8.633 1 U -2.118e+06 0.00e+00 m 0 49 50 50 0 924 123.567 8.573 8.685 1 U -7.644e+04 0.00e+00 m 0 129 0 130 0 925 120.486 8.945 9.165 1 U -2.854e+04 0.00e+00 m 0 151 0 152 0 926 120.486 8.041 9.165 1 U -1.770e+04 0.00e+00 m 0 151 0 152 0 927 120.486 8.552 9.165 1 U -1.093e+04 0.00e+00 m 0 151 0 152 0 928 120.486 4.087 9.165 1 U -1.509e+04 0.00e+00 m 0 151 0 152 0 929 120.486 2.497 9.165 1 U -2.294e+04 0.00e+00 m 0 151 0 152 0 930 120.486 2.366 9.165 1 U -6.908e+04 0.00e+00 m 0 151 0 152 0 931 120.486 2.094 9.165 1 U -3.722e+04 0.00e+00 m 0 151 0 152 0 932 123.130 7.281 9.116 1 U -1.345e+04 0.00e+00 m 0 161 0 162 0 934 123.130 1.578 9.116 1 U -1.011e+04 0.00e+00 m 0 161 0 162 0 935 120.917 4.525 8.779 1 U -2.468e+04 0.00e+00 m 0 184 0 185 0 936 120.917 7.266 8.779 1 U -3.059e+04 0.00e+00 m 0 184 0 185 0 937 120.917 8.682 8.779 1 U -4.512e+04 0.00e+00 m 0 184 0 185 0 938 120.917 2.366 8.779 1 U -1.420e+04 0.00e+00 m 0 184 0 185 0 939 120.917 2.064 8.779 1 U -1.577e+04 0.00e+00 m 0 184 0 185 0 940 119.527 9.171 8.046 1 U -1.486e+04 0.00e+00 m 0 194 0 195 0 941 119.527 0.948 8.046 1 U -1.989e+04 0.00e+00 m 0 194 0 195 0 944 121.560 4.640 8.559 1 U -1.057e+04 0.00e+00 m 0 209 0 210 0 945 121.560 0.971 8.559 1 U -4.210e+04 0.00e+00 m 0 209 0 210 0 947 119.171 0.971 8.306 1 U -1.522e+04 0.00e+00 m 0 234 0 235 0 948 120.436 2.280 7.899 1 U -2.703e+04 0.00e+00 m 0 249 0 250 0 949 121.929 1.358 8.078 1 U -2.900e+04 0.00e+00 m 0 274 0 275 0 950 120.452 0.987 8.329 1 U -4.769e+04 0.00e+00 m 0 296 0 297 0 951 120.452 7.996 8.329 1 U -4.686e+04 0.00e+00 m 0 296 0 297 0 952 121.852 1.738 8.284 1 U -5.412e+04 0.00e+00 m 0 321 0 322 0 953 123.716 8.511 8.203 1 U -3.113e+04 0.00e+00 m 0 336 0 337 0 954 123.716 1.260 8.203 1 U -1.554e+04 0.00e+00 m 0 336 0 337 0 955 123.716 1.020 8.203 1 U -2.552e+04 0.00e+00 m 0 336 0 337 0 956 119.982 6.890 8.556 1 U -9.089e+03 0.00e+00 m 0 361 0 362 0 957 119.982 1.024 8.556 1 U -3.168e+04 0.00e+00 m 0 361 0 362 0 958 119.982 1.252 8.556 1 U -2.118e+04 0.00e+00 m 0 361 0 362 0 959 120.436 8.135 7.794 1 U -6.026e+04 0.00e+00 m 0 383 0 384 0 960 120.436 8.277 7.794 1 U -2.455e+04 0.00e+00 m 0 383 0 384 0 961 120.436 2.268 7.794 1 U -1.688e+04 0.00e+00 m 0 383 0 384 0 962 120.436 2.355 7.794 1 U -1.089e+04 0.00e+00 m 0 383 0 384 0 963 120.436 1.629 7.794 1 U -4.210e+04 0.00e+00 m 0 383 0 384 0 964 120.436 1.004 7.794 1 U -1.351e+04 0.00e+00 m 0 383 0 384 0 965 120.436 3.548 7.794 1 U -1.641e+04 0.00e+00 m 0 383 0 384 0 966 121.381 2.111 9.200 1 U -2.131e+04 0.00e+00 m 0 416 0 417 0 967 121.381 2.005 9.200 1 U -1.970e+04 0.00e+00 m 0 416 0 417 0 968 121.381 1.904 9.200 1 U -1.566e+04 0.00e+00 m 0 416 0 417 0 969 121.381 1.722 9.200 1 U -2.397e+04 0.00e+00 m 0 416 0 417 0 970 121.381 4.192 9.200 1 U -1.003e+04 0.00e+00 m 0 416 0 417 0 971 121.381 3.104 9.200 1 U -8.123e+03 0.00e+00 m 0 416 0 417 0 972 121.381 7.419 9.200 1 U -2.124e+04 0.00e+00 m 0 416 0 417 0 973 121.381 7.096 9.200 1 U -1.070e+04 0.00e+00 m 0 416 0 417 0 975 121.381 8.382 9.200 1 U -2.603e+04 0.00e+00 m 0 416 0 417 0 976 121.381 7.489 9.200 1 U -1.126e+04 0.00e+00 m 0 416 0 417 0 977 119.630 7.087 8.530 1 U -1.809e+04 0.00e+00 m 0 438 0 439 0 978 119.630 6.913 8.530 1 U -1.875e+04 0.00e+00 m 0 438 0 439 0 979 119.630 1.010 8.530 1 U -1.741e+04 0.00e+00 m 0 438 0 439 0 980 121.947 1.236 8.827 1 U -2.053e+04 0.00e+00 m 0 488 0 489 0 981 121.947 1.020 8.827 1 U -1.396e+04 0.00e+00 m 0 488 0 489 0 982 121.947 8.455 8.827 1 U -2.890e+04 0.00e+00 m 0 488 0 489 0 983 121.947 7.435 8.827 1 U -9.044e+03 0.00e+00 m 0 488 0 489 0 984 121.947 3.315 8.827 1 U -8.805e+03 0.00e+00 m 0 488 0 489 0 985 125.885 7.077 9.179 1 U -1.870e+04 0.00e+00 m 0 503 0 504 0 986 125.885 1.036 9.179 1 U -2.741e+04 0.00e+00 m 0 503 0 504 0 987 125.885 0.756 9.179 1 U -1.094e+04 0.00e+00 m 0 503 0 504 0 988 125.885 1.240 9.179 1 U -1.977e+04 0.00e+00 m 0 503 0 504 0 989 115.549 7.904 8.380 1 U -9.055e+03 0.00e+00 m 0 526 0 527 0 990 115.549 7.089 8.380 1 U -2.674e+04 0.00e+00 m 0 526 0 527 0 991 115.549 0.999 8.380 1 U -1.650e+04 0.00e+00 m 0 526 0 527 0 992 115.549 0.749 8.380 1 U -9.464e+03 0.00e+00 m 0 526 0 527 0 993 115.549 2.084 8.380 1 U -1.902e+04 0.00e+00 m 0 526 0 527 0 994 122.330 0.999 8.454 1 U -1.961e+04 0.00e+00 m 0 536 0 537 0 995 122.330 1.542 8.454 1 U -1.228e+04 0.00e+00 m 0 536 0 537 0 996 122.330 1.628 8.454 1 U -1.684e+04 0.00e+00 m 0 536 0 537 0 998 119.674 3.106 8.127 1 U -9.021e+03 0.00e+00 m 0 562 0 563 0 999 119.674 0.998 8.127 1 U -1.870e+04 0.00e+00 m 0 562 0 563 0 1000 119.674 1.261 8.127 1 U -2.927e+04 0.00e+00 m 0 562 0 563 0 1001 119.674 0.472 8.127 1 U -1.310e+04 0.00e+00 m 0 562 0 563 0 1003 118.698 8.202 7.657 1 U -1.221e+04 0.00e+00 m 0 607 0 608 0 1004 118.698 3.894 7.657 1 U -1.932e+04 0.00e+00 m 0 607 0 608 0 1005 118.698 1.262 7.657 1 U -1.114e+04 0.00e+00 m 0 607 0 608 0 1006 118.698 0.967 7.657 1 U -2.986e+04 0.00e+00 m 0 607 0 608 0 1007 120.860 1.306 7.909 1 U -1.004e+04 0.00e+00 m 0 633 0 634 0 1008 120.860 1.630 7.909 1 U -3.213e+04 0.00e+00 m 0 633 0 634 0 1009 119.011 8.365 8.622 1 U -3.200e+04 0.00e+00 m 0 655 0 656 0 1010 119.011 1.616 8.622 1 U -2.220e+04 0.00e+00 m 0 655 0 656 0 1011 119.011 2.040 8.622 1 U -2.519e+04 0.00e+00 m 0 655 0 656 0 1012 112.209 0.962 7.570 1 U -5.636e+04 0.00e+00 m 0 668 0 669 0 1013 120.475 0.969 8.210 1 U -2.336e+04 0.00e+00 m 0 673 0 674 0 1014 123.306 0.964 7.965 1 U -2.076e+04 0.00e+00 m 0 699 0 700 0 1015 123.306 1.539 7.965 1 U -2.413e+04 0.00e+00 m 0 699 0 700 0 1016 122.426 8.436 8.322 1 U -8.073e+04 0.00e+00 m 0 785 0 786 0 1017 125.334 2.381 8.660 1 U -1.394e+05 0.00e+00 m 0 950 0 951 0 1018 125.334 1.525 8.660 1 U -4.769e+04 0.00e+00 m 0 950 0 951 0 1019 122.576 1.013 8.472 1 U -2.523e+04 0.00e+00 m 0 965 0 966 0 1020 121.904 2.057 8.111 1 U -3.418e+04 0.00e+00 m 0 983 0 984 0 1021 122.484 3.901 8.675 1 U -2.845e+04 0.00e+00 m 0 1017 0 1018 0 1022 123.567 2.070 8.685 1 U -3.318e+04 0.00e+00 m 0 129 0 130 0 1023 123.567 2.367 8.685 1 U -4.853e+04 0.00e+00 m 0 129 0 130 0 1024 123.567 9.172 8.685 1 U -1.856e+04 0.00e+00 m 0 129 0 130 0 1025 120.486 1.857 9.165 1 U -2.195e+04 0.00e+00 m 0 151 0 152 0 1026 120.486 1.651 9.165 1 U -4.583e+04 0.00e+00 m 0 151 0 152 0 1027 120.486 0.957 9.165 1 U -6.526e+04 0.00e+00 m 0 151 0 152 0 1028 123.130 8.786 9.116 1 U -1.688e+04 0.00e+00 m 0 161 0 162 0 1031 120.917 9.166 8.779 1 U -1.285e+04 0.00e+00 m 0 184 152 185 0 1032 120.917 8.059 8.779 1 U -4.146e+04 0.00e+00 m 0 184 0 185 0 1037 119.527 1.618 8.046 1 U -5.264e+04 0.00e+00 m 0 194 0 195 0 1038 119.527 1.738 8.046 1 U -1.457e+04 0.00e+00 m 0 194 0 195 0 1039 119.527 8.557 8.046 1 U -5.084e+04 0.00e+00 m 0 194 0 195 0 1040 121.560 4.093 8.559 1 U -3.313e+04 0.00e+00 m 0 209 0 210 0 1041 121.560 8.048 8.559 1 U -5.039e+04 0.00e+00 m 0 209 0 210 0 1042 121.560 8.296 8.559 1 U -5.431e+04 0.00e+00 m 0 209 0 210 0 1043 121.560 7.898 8.559 1 U -1.425e+04 0.00e+00 m 0 209 0 210 0 1044 119.527 7.904 8.046 1 U -1.902e+04 0.00e+00 m 0 194 0 195 0 1046 121.560 2.367 8.559 1 U -3.840e+04 0.00e+00 m 0 209 0 210 0 1047 121.560 2.494 8.559 1 U -1.287e+04 0.00e+00 m 0 209 0 210 0 1048 119.171 7.904 8.306 1 U -6.454e+04 0.00e+00 m 0 234 0 235 0 1049 119.171 8.083 8.306 1 U -2.160e+04 0.00e+00 m 0 234 0 235 0 1050 119.171 8.550 8.306 1 U -5.944e+04 0.00e+00 m 0 234 0 235 0 1052 119.171 1.586 8.306 1 U -3.172e+04 0.00e+00 m 0 234 0 235 0 1053 119.171 1.748 8.306 1 U -3.395e+04 0.00e+00 m 0 234 0 235 0 1054 120.436 8.075 7.899 1 U -6.872e+04 0.00e+00 m 0 249 0 250 0 1055 120.436 8.307 7.899 1 U -7.983e+04 0.00e+00 m 0 249 0 250 0 1056 120.436 4.085 7.899 1 U -4.480e+04 0.00e+00 m 0 249 197 250 0 1057 120.452 8.551 8.329 1 U -1.634e+04 0.00e+00 m 0 296 0 297 0 1058 120.452 8.074 8.329 1 U -4.711e+04 0.00e+00 m 0 296 0 297 0 1060 120.452 2.240 8.329 1 U -3.445e+04 0.00e+00 m 0 296 0 297 0 1061 120.452 4.088 8.329 1 U -1.809e+04 0.00e+00 m 0 296 0 297 0 1062 120.452 4.243 8.329 1 U -4.101e+04 0.00e+00 m 0 296 0 297 0 1063 120.452 1.327 8.329 1 U -1.289e+04 0.00e+00 m 0 296 0 297 0 1064 121.852 3.971 8.284 1 U -3.186e+04 0.00e+00 m 0 321 0 322 0 1065 121.852 2.032 8.284 1 U -1.196e+05 0.00e+00 m 0 321 0 322 0 1066 120.436 1.904 7.794 1 U -3.081e+04 0.00e+00 m 0 383 0 384 0 1067 120.436 2.059 7.794 1 U -5.872e+04 0.00e+00 m 0 383 0 384 0 1068 120.436 1.253 7.794 1 U -1.350e+04 0.00e+00 m 0 383 0 384 0 1069 120.436 0.727 7.794 1 U -1.996e+04 0.00e+00 m 0 383 0 384 0 1070 120.436 0.442 7.794 1 U -1.313e+04 0.00e+00 m 0 383 0 384 0 1071 119.982 7.780 8.556 1 U -3.404e+04 0.00e+00 m 0 361 0 362 0 1072 119.982 9.197 8.556 1 U -1.400e+04 0.00e+00 m 0 361 0 362 0 1073 120.436 8.471 7.794 1 U -6.799e+04 0.00e+00 m 0 383 0 384 0 1074 120.436 8.545 7.794 1 U -6.117e+04 0.00e+00 m 0 383 0 384 0 1079 120.436 9.197 7.794 1 U -1.006e+04 0.00e+00 m 0 383 0 384 0 1080 121.906 7.426 8.474 1 U -2.552e+04 0.00e+00 m 0 393 0 394 0 1081 121.906 9.199 8.474 1 U -3.363e+04 0.00e+00 m 0 393 0 394 0 1082 121.381 8.478 9.200 1 U -4.229e+04 0.00e+00 m 0 416 0 417 0 1083 121.381 4.516 9.200 1 U -2.233e+04 0.00e+00 m 0 416 0 417 0 1084 121.381 3.559 9.200 1 U -3.304e+04 0.00e+00 m 0 416 0 417 0 1085 119.630 7.927 8.530 1 U -4.628e+04 0.00e+00 m 0 438 0 439 0 1086 121.758 8.533 7.917 1 U -4.955e+04 0.00e+00 m 0 463 0 464 0 1087 121.758 9.182 7.917 1 U -1.395e+04 0.00e+00 m 0 463 0 464 0 1088 121.758 8.831 7.917 1 U -4.666e+04 0.00e+00 m 0 463 0 464 0 1089 119.630 9.182 8.530 1 U -3.190e+04 0.00e+00 m 0 438 0 439 0 1090 121.758 3.997 7.917 1 U -2.147e+04 0.00e+00 m 0 463 0 464 0 1091 121.758 1.026 7.917 1 U -1.226e+04 0.00e+00 m 0 463 0 464 0 1092 120.436 3.973 7.899 1 U -3.118e+04 0.00e+00 m 0 249 0 250 0 1093 125.885 4.188 9.179 1 U -3.077e+04 0.00e+00 m 0 503 0 504 0 1094 121.947 9.186 8.827 1 U -3.195e+04 0.00e+00 m 0 488 0 489 0 1095 121.947 7.920 8.827 1 U -4.364e+04 0.00e+00 m 0 488 0 489 0 1096 121.947 4.001 8.827 1 U -2.070e+04 0.00e+00 m 0 488 0 489 0 1097 121.947 3.087 8.827 1 U -6.307e+03 0.00e+00 m 0 488 0 489 0 1098 125.885 8.823 9.179 1 U -2.474e+04 0.00e+00 m 0 503 0 504 0 1099 125.885 8.427 9.179 1 U -3.877e+04 0.00e+00 m 0 503 0 504 0 1100 115.549 9.186 8.380 1 U -3.431e+04 0.00e+00 m 0 526 0 527 0 1101 115.549 3.943 8.380 1 U -2.670e+04 0.00e+00 m 0 526 0 527 0 1102 115.549 1.756 8.380 1 U -1.019e+04 0.00e+00 m 0 526 0 527 0 1103 115.549 3.049 8.380 1 U -1.536e+04 0.00e+00 m 0 526 0 527 0 1104 115.549 3.365 8.380 1 U -3.018e+04 0.00e+00 m 0 526 0 527 0 1105 119.674 8.299 8.127 1 U -2.613e+04 0.00e+00 m 0 562 0 563 0 1106 120.337 8.210 8.021 1 U -2.674e+04 0.00e+00 m 0 597 0 598 0 1107 120.337 2.016 8.021 1 U -2.590e+04 0.00e+00 m 0 597 0 598 0 1108 112.209 0.964 7.064 1 U -6.899e+04 0.00e+00 m 0 668 0 670 0 1110 120.917 4.624 8.779 1 U -1.041e+04 0.00e+00 m 0 184 132 185 0 1111 119.527 4.610 8.046 1 U -1.629e+04 0.00e+00 m 0 194 154 195 0 1112 119.527 4.630 8.046 1 U -2.654e+04 0.00e+00 m 0 194 132 195 0 1114 120.436 4.091 7.899 1 U -4.480e+04 0.00e+00 m 0 249 0 250 0 1115 120.632 9.199 8.474 1 U 5.450e+02 0.00e+00 m 0 0 0 394 0 1116 120.632 9.103 8.474 1 U -4.400e+02 0.00e+00 m 0 0 0 394 0 1117 120.797 9.103 8.474 1 U -9.990e+02 0.00e+00 m 0 0 0 394 0 1119 120.337 3.876 8.021 1 U -9.475e+03 0.00e+00 m 0 597 0 598 0 1120 118.698 3.876 7.657 1 U -1.659e+04 0.00e+00 m 0 607 565 608 0 1121 120.860 3.876 7.909 1 U -1.236e+04 0.00e+00 m 0 633 565 634 0 1123 120.730 4.194 8.211 1 U -9.628e+04 0.00e+00 m 0 709 0 710 0 1124 120.730 8.224 8.211 1 U -7.044e+05 0.00e+00 m 0 709 761 710 0 1125 121.725 8.158 8.256 1 U -4.499e+04 0.00e+00 m 0 734 0 735 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . . 70 ppm . . . 43 . . 30493 4 2 . . H 1 H . . 14 ppm . . . 4.8 . . 30493 4 2 . . H 1 H . . 14 ppm . . . 4.8 . . 30493 4 stop_ save_