data_34914 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34914 _Entry.Title ; Single acyclic phosphonate nucleotide (S)-ZNA modification on DNA hairpin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-25 _Entry.Accession_date 2024-04-25 _Entry.Last_release_date 2024-05-29 _Entry.Original_release_date 2024-05-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 X. Li X. . . . 34914 2 E. Groaz E. . . . 34914 3 P. Herdewijn P. . . . 34914 4 E. Lescrinier E. . . . 34914 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID (S)-ZNA . 34914 DNA . 34914 'Dickerson Drew Decamers' . 34914 XNA . 34914 'acyclic backbone' . 34914 'phosphonate linkage' . 34914 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34914 spectral_peak_list 1 34914 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 78 34914 '1H chemical shifts' 103 34914 '31P chemical shifts' 9 34914 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-05-31 . original BMRB . 34914 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9F3D 'BMRB Entry Tracking System' 34914 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34914 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38687344 _Citation.DOI 10.1002/chem.202401254 _Citation.Full_citation . _Citation.Title ; Impact of Single Acyclic Phosphonate Nucleotide (ZNA) Modifications on DNA Duplex Stability. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0947-6539 _Citation.Journal_CSD . _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 e202401254 _Citation.Page_last e202401254 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Li X. . . . 34914 1 2 E. Groaz E. . . . 34914 1 3 P. Herdewijn P. . . . 34914 1 4 E. Lescrinier E. . . . 34914 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34914 _Assembly.ID 1 _Assembly.Name 'C modifed (S)-ZNA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34914 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34914 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGCGAATTXGCG ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3635.382 _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 . DC . 34914 1 2 . DG . 34914 1 3 . DC . 34914 1 4 . DG . 34914 1 5 . DA . 34914 1 6 . DA . 34914 1 7 . DT . 34914 1 8 . DT . 34914 1 9 . L8P . 34914 1 10 . DG . 34914 1 11 . DC . 34914 1 12 . DG . 34914 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 . DC 1 1 34914 1 . DG 2 2 34914 1 . DC 3 3 34914 1 . DG 4 4 34914 1 . DA 5 5 34914 1 . DA 6 6 34914 1 . DT 7 7 34914 1 . DT 8 8 34914 1 . L8P 9 9 34914 1 . DG 10 10 34914 1 . DC 11 11 34914 1 . DG 12 12 34914 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 34914 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34914 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 34914 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34914 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_L8P _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_L8P _Chem_comp.Entry_ID 34914 _Chem_comp.ID L8P _Chem_comp.Provenance PDB _Chem_comp.Name '({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code L8P _Chem_comp.PDB_code L8P _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code L8P _Chem_comp.Number_atoms_all 32 _Chem_comp.Number_atoms_nh 18 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms Cidofovir _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H14 N3 O6 P' _Chem_comp.Formula_weight 279.187 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2L8P _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.7.0 34914 L8P C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 34914 L8P InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 InChI InChI 1.03 34914 L8P NC1=NC(=O)N(C[C@@H](CO)OC[P](O)(O)=O)C=C1 SMILES_CANONICAL CACTVS 3.370 34914 L8P NC1=NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1 SMILES CACTVS 3.370 34914 L8P O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO SMILES ACDLabs 12.01 34914 L8P VWFCHDSQECPREK-LURJTMIESA-N InChIKey InChI 1.03 34914 L8P stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 34914 L8P '[(2S)-1-(4-azanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 34914 L8P stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P P P P . P . . N 0 . . . 1 N N . . . . -9.286 . -2.410 . 0.542 . 1.048 2.057 -0.079 1 . 34914 L8P N1 N1 N1 N1 . N . . N 0 . . . 1 N N . . . . -4.404 . -2.907 . -1.391 . -0.891 -1.343 0.455 2 . 34914 L8P C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . -3.195 . -2.456 . -1.805 . -1.418 -1.216 -0.776 3 . 34914 L8P O2 O2 O2 O2 . O . . N 0 . . . 1 N N . . . . -2.947 . -2.234 . -2.973 . -0.833 -1.698 -1.732 4 . 34914 L8P N3 N3 N3 N3 . N . . N 0 . . . 1 N N . . . . -2.184 . -2.242 . -0.964 . -2.568 -0.573 -0.969 5 . 34914 L8P C4 C4 C4 C4 . C . . N 0 . . . 1 N N . . . . -2.259 . -2.463 . 0.335 . -3.225 -0.039 0.053 6 . 34914 L8P N4 N4 N4 N4 . N . . N 0 . . . 1 N N . . . . -1.304 . -2.264 . 1.216 . -4.413 0.622 -0.158 7 . 34914 L8P C5 C5 C5 C5 . C . . N 0 . . . 1 N N . . . . -3.581 . -2.899 . 0.911 . -2.699 -0.155 1.356 8 . 34914 L8P C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . -4.709 . -3.126 . -0.100 . -1.529 -0.812 1.536 9 . 34914 L8P C1' C1' C1' C1' . C . . N 0 . . . 1 N N . . . . -5.464 . -3.253 . -2.364 . 0.373 -2.062 0.636 10 . 34914 L8P C2' C2' C2' C2' . C . . S 0 . . . 1 N N . . . . -6.426 . -2.094 . -2.694 . 1.540 -1.079 0.515 11 . 34914 L8P C3' C3' C3' C3' . C . . N 0 . . . 1 N N . . . . -7.352 . -2.450 . -3.902 . 2.860 -1.830 0.705 12 . 34914 L8P O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . -6.642 . -2.785 . -5.097 . 2.932 -2.910 -0.229 13 . 34914 L8P C4' C4' C4' C4' . C . . N 0 . . . 1 N N . . . . -8.369 . -2.408 . -1.049 . 2.148 0.811 -0.827 14 . 34914 L8P O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . -7.154 . -1.684 . -1.482 . 1.519 -0.472 -0.778 15 . 34914 L8P OP1 OP1 OP1 OP1 . O . . N 0 . . . 1 N N . . . . -10.954 . -2.741 . 0.286 . 1.792 3.484 -0.055 16 . 34914 L8P OP2 OP2 OP2 OP2 . O . . N 0 . . . 1 N N . . . . -8.796 . -3.539 . 1.422 . -0.194 2.161 -0.877 17 . 34914 L8P H5 H5 H5 H5 . H . . N 0 . . . 1 N N . . . . -3.725 . -3.043 . 1.972 . -3.222 0.275 2.198 18 . 34914 L8P H6 H6 H6 H6 . H . . N 0 . . . 1 N N . . . . -5.694 . -3.444 . 0.207 . -1.107 -0.914 2.524 19 . 34914 L8P H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . -4.976 . -3.563 . -3.299 . 0.389 -2.525 1.623 20 . 34914 L8P H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . -7.966 . -3.317 . -3.616 . 3.693 -1.148 0.536 21 . 34914 L8P H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . -8.073 . -3.462 . -1.158 . 2.347 1.078 -1.865 22 . 34914 L8P H1'A H1'A H1'A H1'A . H . . N 0 . . . 0 N N . . . . -6.059 . -4.075 . -1.938 . 0.466 -2.832 -0.129 23 . 34914 L8P H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . -5.848 . -1.219 . -3.024 . 1.447 -0.309 1.281 24 . 34914 L8P H3'A H3'A H3'A H3'A . H . . N 0 . . . 0 N N . . . . -7.984 . -1.575 . -4.116 . 2.912 -2.223 1.720 25 . 34914 L8P H4'A H4'A H4'A H4'A . H . . N 0 . . . 0 N N . . . . -9.127 . -2.055 . -1.764 . 3.087 0.776 -0.275 26 . 34914 L8P HN4 HN4 HN4 HN4 . H . . N 0 . . . 1 N N . . . . -0.416 . -1.912 . 0.920 . -4.772 0.700 -1.056 27 . 34914 L8P HN4A HN4A HN4A HN4A . H . . N 0 . . . 0 N N . . . . -1.465 . -2.465 . 2.182 . -4.891 1.011 0.591 28 . 34914 L8P O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . -9.224 . -0.975 . 1.489 . 0.683 1.616 1.426 29 . 34914 L8P H12 H12 H12 H12 . H . . N 0 . . . 1 N N . . . . -7.262 . -2.989 . -5.787 . 3.744 -3.430 -0.166 30 . 34914 L8P H13 H13 H13 H13 . H . . N 0 . . . 1 N N . . . . -11.193 . -3.539 . 0.742 . 1.264 4.197 0.331 31 . 34914 L8P H14 H14 H14 H14 . H . . N 0 . . . 1 N N . . . . -8.900 . -1.182 . 2.358 . 1.451 1.528 2.007 32 . 34914 L8P stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING P C4' N N 1 . 34914 L8P 2 . SING P OP1 N N 2 . 34914 L8P 3 . DOUB P OP2 N N 3 . 34914 L8P 4 . SING N1 C2 N N 4 . 34914 L8P 5 . SING N1 C6 N N 5 . 34914 L8P 6 . SING N1 C1' N N 6 . 34914 L8P 7 . DOUB C2 O2 N N 7 . 34914 L8P 8 . SING C2 N3 N N 8 . 34914 L8P 9 . DOUB N3 C4 N N 9 . 34914 L8P 10 . SING C4 N4 N N 10 . 34914 L8P 11 . SING C4 C5 N N 11 . 34914 L8P 12 . SING N4 HN4 N N 12 . 34914 L8P 13 . SING N4 HN4A N N 13 . 34914 L8P 14 . DOUB C5 C6 N N 14 . 34914 L8P 15 . SING C5 H5 N N 15 . 34914 L8P 16 . SING C6 H6 N N 16 . 34914 L8P 17 . SING C1' C2' N N 17 . 34914 L8P 18 . SING C1' H1' N N 18 . 34914 L8P 19 . SING C1' H1'A N N 19 . 34914 L8P 20 . SING C2' C3' N N 20 . 34914 L8P 21 . SING C2' O4' N N 21 . 34914 L8P 22 . SING C2' H2' N N 22 . 34914 L8P 23 . SING C3' O3' N N 23 . 34914 L8P 24 . SING C3' H3' N N 24 . 34914 L8P 25 . SING C3' H3'A N N 25 . 34914 L8P 26 . SING C4' O4' N N 26 . 34914 L8P 27 . SING C4' H4' N N 27 . 34914 L8P 28 . SING C4' H4'A N N 28 . 34914 L8P 29 . SING P O6 N N 29 . 34914 L8P 30 . SING O3' H12 N N 30 . 34914 L8P 31 . SING OP1 H13 N N 31 . 34914 L8P 32 . SING O6 H14 N N 32 . 34914 L8P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34914 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '990 ug/mL [U-1% 13C] Oligo1, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Oligo1 '[U-1% 13C]' . . 1 $entity_1 . . 990 . . ug/mL . . . . 34914 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34914 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '990 ug/mL [U-1% 13C] Oligo1, 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 Oligo1 '[U-1% 13C]' . . 1 $entity_1 . . 990 . . ug/mL . . . . 34914 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 34914 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34914 1 pH 6.1 . pH 34914 1 pressure 1 . atm 34914 1 temperature 310 . K 34914 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34914 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 34914 2 pH 6.1 . pH 34914 2 pressure 1 . atm 34914 2 temperature 310 . K 34914 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34914 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34914 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34914 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34914 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34914 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34914 2 'structure calculation' . 34914 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34914 _Software.ID 3 _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.' . . 34914 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34914 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34914 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34914 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34914 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE II' . 600 . . . 34914 1 2 NMR_spectrometer_2 Bruker AVANCE . 500 . . . 34914 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 34914 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 1 2 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 1 4 '2D 1H-13C HMBC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 1 5 '2D TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 1 6 '2D 1H-31P COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34914 1 7 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 1 8 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34914 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 34914 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34914 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34914 1 P 31 'phosphoric acid' phosphorus . . . . ppm 0.000 internal direct 1.0 . . . . . 34914 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 34914 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 34914 1 2 '2D 1H-1H COSY' . . . 34914 1 3 '2D 1H-13C HSQC aliphatic' . . . 34914 1 4 '2D 1H-13C HMBC aromatic' . . . 34914 1 5 '2D TOCSY' . . . 34914 1 6 '2D 1H-31P COSY' . . . 34914 1 7 '2D DQF-COSY' . . . 34914 1 8 '2D NOESY' . . . 34914 1 9 '2D 1H-13C HSQC aromatic' . . . 34914 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DC H1' H 1 5.823 0.000 . . . . . . A 1 DC H1' . 34914 1 2 . 1 . 1 1 1 DC H2' H 1 1.928 0.000 . . . . . . A 1 DC H2' . 34914 1 3 . 1 . 1 1 1 DC H2'' H 1 2.404 0.000 . . . . . . A 1 DC H2'' . 34914 1 4 . 1 . 1 1 1 DC H3' H 1 4.709 0.000 . . . . . . A 1 DC H3' . 34914 1 5 . 1 . 1 1 1 DC H4' H 1 4.076 0.000 . . . . . . A 1 DC H4' . 34914 1 6 . 1 . 1 1 1 DC H5 H 1 5.951 0.000 . . . . . . A 1 DC H5 . 34914 1 7 . 1 . 1 1 1 DC H5' H 1 3.720 0.000 . . . . . . A 1 DC H5' . 34914 1 8 . 1 . 1 1 1 DC H6 H 1 7.639 0.000 . . . . . . A 1 DC H6 . 34914 1 9 . 1 . 1 1 1 DC C1' C 13 85.685 0.000 . . . . . . A 1 DC C1' . 34914 1 10 . 1 . 1 1 1 DC C2' C 13 37.374 0.000 . . . . . . A 1 DC C2' . 34914 1 11 . 1 . 1 1 1 DC C3' C 13 75.504 0.000 . . . . . . A 1 DC C3' . 34914 1 12 . 1 . 1 1 1 DC C4' C 13 85.725 0.000 . . . . . . A 1 DC C4' . 34914 1 13 . 1 . 1 1 1 DC C5 C 13 96.837 0.000 . . . . . . A 1 DC C5 . 34914 1 14 . 1 . 1 1 1 DC C5' C 13 61.226 0.000 . . . . . . A 1 DC C5' . 34914 1 15 . 1 . 1 1 1 DC C6 C 13 140.923 0.000 . . . . . . A 1 DC C6 . 34914 1 16 . 1 . 1 2 2 DG H1' H 1 5.905 0.000 . . . . . . A 2 DG H1' . 34914 1 17 . 1 . 1 2 2 DG H2' H 1 2.680 0.000 . . . . . . A 2 DG H2' . 34914 1 18 . 1 . 1 2 2 DG H2'' H 1 2.731 0.000 . . . . . . A 2 DG H2'' . 34914 1 19 . 1 . 1 2 2 DG H3' H 1 4.969 0.000 . . . . . . A 2 DG H3' . 34914 1 20 . 1 . 1 2 2 DG H4' H 1 4.343 0.000 . . . . . . A 2 DG H4' . 34914 1 21 . 1 . 1 2 2 DG H5' H 1 4.089 0.000 . . . . . . A 2 DG H5' . 34914 1 22 . 1 . 1 2 2 DG H5'' H 1 3.990 0.000 . . . . . . A 2 DG H5'' . 34914 1 23 . 1 . 1 2 2 DG H8 H 1 7.985 0.000 . . . . . . A 2 DG H8 . 34914 1 24 . 1 . 1 2 2 DG C1' C 13 81.974 0.000 . . . . . . A 2 DG C1' . 34914 1 25 . 1 . 1 2 2 DG C2' C 13 37.126 0.000 . . . . . . A 2 DG C2' . 34914 1 26 . 1 . 1 2 2 DG C3' C 13 77.054 0.000 . . . . . . A 2 DG C3' . 34914 1 27 . 1 . 1 2 2 DG C4' C 13 84.832 0.000 . . . . . . A 2 DG C4' . 34914 1 28 . 1 . 1 2 2 DG C5' C 13 65.740 0.000 . . . . . . A 2 DG C5' . 34914 1 29 . 1 . 1 2 2 DG C8 C 13 135.768 0.000 . . . . . . A 2 DG C8 . 34914 1 30 . 1 . 1 2 2 DG P P 31 -0.984 0.000 . . . . . . A 2 DG P . 34914 1 31 . 1 . 1 3 3 DC H1' H 1 5.811 0.000 . . . . . . A 3 DC H1' . 34914 1 32 . 1 . 1 3 3 DC H2' H 1 1.605 0.000 . . . . . . A 3 DC H2' . 34914 1 33 . 1 . 1 3 3 DC H2'' H 1 2.152 0.000 . . . . . . A 3 DC H2'' . 34914 1 34 . 1 . 1 3 3 DC H3' H 1 4.763 0.000 . . . . . . A 3 DC H3' . 34914 1 35 . 1 . 1 3 3 DC H4' H 1 4.132 0.000 . . . . . . A 3 DC H4' . 34914 1 36 . 1 . 1 3 3 DC H5 H 1 5.487 0.000 . . . . . . A 3 DC H5 . 34914 1 37 . 1 . 1 3 3 DC H5' H 1 4.085 0.000 . . . . . . A 3 DC H5' . 34914 1 38 . 1 . 1 3 3 DC H5'' H 1 4.175 0.000 . . . . . . A 3 DC H5'' . 34914 1 39 . 1 . 1 3 3 DC H6 H 1 7.274 0.000 . . . . . . A 3 DC H6 . 34914 1 40 . 1 . 1 3 3 DC C1' C 13 83.921 0.000 . . . . . . A 3 DC C1' . 34914 1 41 . 1 . 1 3 3 DC C2' C 13 36.913 0.000 . . . . . . A 3 DC C2' . 34914 1 42 . 1 . 1 3 3 DC C3' C 13 74.337 0.000 . . . . . . A 3 DC C3' . 34914 1 43 . 1 . 1 3 3 DC C4' C 13 83.126 0.000 . . . . . . A 3 DC C4' . 34914 1 44 . 1 . 1 3 3 DC C5 C 13 96.240 0.000 . . . . . . A 3 DC C5 . 34914 1 45 . 1 . 1 3 3 DC C5' C 13 64.750 0.000 . . . . . . A 3 DC C5' . 34914 1 46 . 1 . 1 3 3 DC C6 C 13 139.837 0.000 . . . . . . A 3 DC C6 . 34914 1 47 . 1 . 1 3 3 DC P P 31 -1.014 0.000 . . . . . . A 3 DC P . 34914 1 48 . 1 . 1 4 4 DG H1' H 1 5.665 0.000 . . . . . . A 4 DG H1' . 34914 1 49 . 1 . 1 4 4 DG H2'' H 1 2.385 0.000 . . . . . . A 4 DG H2'' . 34914 1 50 . 1 . 1 4 4 DG H3' H 1 4.889 0.000 . . . . . . A 4 DG H3' . 34914 1 51 . 1 . 1 4 4 DG H4' H 1 4.263 0.000 . . . . . . A 4 DG H4' . 34914 1 52 . 1 . 1 4 4 DG H5' H 1 4.035 0.000 . . . . . . A 4 DG H5' . 34914 1 53 . 1 . 1 4 4 DG H5'' H 1 3.996 0.000 . . . . . . A 4 DG H5'' . 34914 1 54 . 1 . 1 4 4 DG H8 H 1 7.665 0.000 . . . . . . A 4 DG H8 . 34914 1 55 . 1 . 1 4 4 DG C1' C 13 81.960 0.000 . . . . . . A 4 DG C1' . 34914 1 56 . 1 . 1 4 4 DG C2' C 13 36.987 0.000 . . . . . . A 4 DG C2' . 34914 1 57 . 1 . 1 4 4 DG C3' C 13 76.882 0.000 . . . . . . A 4 DG C3' . 34914 1 58 . 1 . 1 4 4 DG C4' C 13 84.688 0.000 . . . . . . A 4 DG C4' . 34914 1 59 . 1 . 1 4 4 DG C5' C 13 65.146 0.000 . . . . . . A 4 DG C5' . 34914 1 60 . 1 . 1 4 4 DG C8 C 13 135.880 0.000 . . . . . . A 4 DG C8 . 34914 1 61 . 1 . 1 4 4 DG P P 31 -1.025 0.000 . . . . . . A 4 DG P . 34914 1 62 . 1 . 1 5 5 DA H1' H 1 6.089 0.000 . . . . . . A 5 DA H1' . 34914 1 63 . 1 . 1 5 5 DA H2 H 1 7.909 0.000 . . . . . . A 5 DA H2 . 34914 1 64 . 1 . 1 5 5 DA H2' H 1 2.539 0.000 . . . . . . A 5 DA H2' . 34914 1 65 . 1 . 1 5 5 DA H2'' H 1 2.599 0.000 . . . . . . A 5 DA H2'' . 34914 1 66 . 1 . 1 5 5 DA H3' H 1 4.930 0.000 . . . . . . A 5 DA H3' . 34914 1 67 . 1 . 1 5 5 DA H4' H 1 4.238 0.000 . . . . . . A 5 DA H4' . 34914 1 68 . 1 . 1 5 5 DA H5' H 1 4.000 0.000 . . . . . . A 5 DA H5' . 34914 1 69 . 1 . 1 5 5 DA H5'' H 1 4.046 0.000 . . . . . . A 5 DA H5'' . 34914 1 70 . 1 . 1 5 5 DA H8 H 1 8.093 0.000 . . . . . . A 5 DA H8 . 34914 1 71 . 1 . 1 5 5 DA C1' C 13 83.142 0.000 . . . . . . A 5 DA C1' . 34914 1 72 . 1 . 1 5 5 DA C2 C 13 152.280 0.000 . . . . . . A 5 DA C2 . 34914 1 73 . 1 . 1 5 5 DA C2' C 13 37.772 0.000 . . . . . . A 5 DA C2' . 34914 1 74 . 1 . 1 5 5 DA C3' C 13 76.103 0.000 . . . . . . A 5 DA C3' . 34914 1 75 . 1 . 1 5 5 DA C4 C 13 148.049 0.000 . . . . . . A 5 DA C4 . 34914 1 76 . 1 . 1 5 5 DA C4' C 13 84.657 0.000 . . . . . . A 5 DA C4' . 34914 1 77 . 1 . 1 5 5 DA C5' C 13 65.197 0.000 . . . . . . A 5 DA C5' . 34914 1 78 . 1 . 1 5 5 DA C8 C 13 139.586 0.000 . . . . . . A 5 DA C8 . 34914 1 79 . 1 . 1 5 5 DA P P 31 -1.228 0.000 . . . . . . A 5 DA P . 34914 1 80 . 1 . 1 6 6 DA H1' H 1 6.199 0.000 . . . . . . A 6 DA H1' . 34914 1 81 . 1 . 1 6 6 DA H2 H 1 7.942 0.000 . . . . . . A 6 DA H2 . 34914 1 82 . 1 . 1 6 6 DA H2' H 1 2.690 0.000 . . . . . . A 6 DA H2' . 34914 1 83 . 1 . 1 6 6 DA H2'' H 1 2.651 0.000 . . . . . . A 6 DA H2'' . 34914 1 84 . 1 . 1 6 6 DA H3' H 1 4.885 0.000 . . . . . . A 6 DA H3' . 34914 1 85 . 1 . 1 6 6 DA H4' H 1 4.354 0.000 . . . . . . A 6 DA H4' . 34914 1 86 . 1 . 1 6 6 DA H5' H 1 4.132 0.000 . . . . . . A 6 DA H5' . 34914 1 87 . 1 . 1 6 6 DA H5'' H 1 4.070 0.000 . . . . . . A 6 DA H5'' . 34914 1 88 . 1 . 1 6 6 DA H8 H 1 8.218 0.000 . . . . . . A 6 DA H8 . 34914 1 89 . 1 . 1 6 6 DA C1' C 13 83.332 0.000 . . . . . . A 6 DA C1' . 34914 1 90 . 1 . 1 6 6 DA C2 C 13 152.358 0.000 . . . . . . A 6 DA C2 . 34914 1 91 . 1 . 1 6 6 DA C2' C 13 38.001 0.000 . . . . . . A 6 DA C2' . 34914 1 92 . 1 . 1 6 6 DA C3' C 13 75.741 0.000 . . . . . . A 6 DA C3' . 34914 1 93 . 1 . 1 6 6 DA C4 C 13 148.295 0.000 . . . . . . A 6 DA C4 . 34914 1 94 . 1 . 1 6 6 DA C4' C 13 84.720 0.000 . . . . . . A 6 DA C4' . 34914 1 95 . 1 . 1 6 6 DA C5' C 13 65.163 0.000 . . . . . . A 6 DA C5' . 34914 1 96 . 1 . 1 6 6 DA C8 C 13 139.731 0.000 . . . . . . A 6 DA C8 . 34914 1 97 . 1 . 1 6 6 DA P P 31 -1.046 0.000 . . . . . . A 6 DA P . 34914 1 98 . 1 . 1 7 7 DT H1' H 1 5.854 0.000 . . . . . . A 7 DT H1' . 34914 1 99 . 1 . 1 7 7 DT H2' H 1 2.271 0.000 . . . . . . A 7 DT H2' . 34914 1 100 . 1 . 1 7 7 DT H2'' H 1 2.089 0.000 . . . . . . A 7 DT H2'' . 34914 1 101 . 1 . 1 7 7 DT H3' H 1 4.732 0.000 . . . . . . A 7 DT H3' . 34914 1 102 . 1 . 1 7 7 DT H4' H 1 4.145 0.000 . . . . . . A 7 DT H4' . 34914 1 103 . 1 . 1 7 7 DT H5' H 1 4.021 0.000 . . . . . . A 7 DT H5' . 34914 1 104 . 1 . 1 7 7 DT H5'' H 1 3.983 0.000 . . . . . . A 7 DT H5'' . 34914 1 105 . 1 . 1 7 7 DT H6 H 1 7.363 0.000 . . . . . . A 7 DT H6 . 34914 1 106 . 1 . 1 7 7 DT H71 H 1 1.631 0.000 . . . . . . A 7 DT H71 . 34914 1 107 . 1 . 1 7 7 DT H72 H 1 1.631 0.000 . . . . . . A 7 DT H72 . 34914 1 108 . 1 . 1 7 7 DT H73 H 1 1.631 0.000 . . . . . . A 7 DT H73 . 34914 1 109 . 1 . 1 7 7 DT C1' C 13 84.887 0.000 . . . . . . A 7 DT C1' . 34914 1 110 . 1 . 1 7 7 DT C2' C 13 37.951 0.000 . . . . . . A 7 DT C2' . 34914 1 111 . 1 . 1 7 7 DT C3' C 13 75.722 0.000 . . . . . . A 7 DT C3' . 34914 1 112 . 1 . 1 7 7 DT C4' C 13 84.114 0.000 . . . . . . A 7 DT C4' . 34914 1 113 . 1 . 1 7 7 DT C5' C 13 65.304 0.000 . . . . . . A 7 DT C5' . 34914 1 114 . 1 . 1 7 7 DT C6 C 13 136.687 0.000 . . . . . . A 7 DT C6 . 34914 1 115 . 1 . 1 8 8 DT H1' H 1 6.075 0.000 . . . . . . A 8 DT H1' . 34914 1 116 . 1 . 1 8 8 DT H2'' H 1 2.223 0.000 . . . . . . A 8 DT H2'' . 34914 1 117 . 1 . 1 8 8 DT H3' H 1 4.724 0.000 . . . . . . A 8 DT H3' . 34914 1 118 . 1 . 1 8 8 DT H4' H 1 4.030 0.000 . . . . . . A 8 DT H4' . 34914 1 119 . 1 . 1 8 8 DT H5' H 1 3.909 0.000 . . . . . . A 8 DT H5' . 34914 1 120 . 1 . 1 8 8 DT H5'' H 1 3.989 0.000 . . . . . . A 8 DT H5'' . 34914 1 121 . 1 . 1 8 8 DT H6 H 1 7.465 0.000 . . . . . . A 8 DT H6 . 34914 1 122 . 1 . 1 8 8 DT H71 H 1 1.691 0.000 . . . . . . A 8 DT H71 . 34914 1 123 . 1 . 1 8 8 DT H72 H 1 1.691 0.000 . . . . . . A 8 DT H72 . 34914 1 124 . 1 . 1 8 8 DT H73 H 1 1.691 0.000 . . . . . . A 8 DT H73 . 34914 1 125 . 1 . 1 8 8 DT C1' C 13 84.901 0.000 . . . . . . A 8 DT C1' . 34914 1 126 . 1 . 1 8 8 DT C2' C 13 37.871 0.000 . . . . . . A 8 DT C2' . 34914 1 127 . 1 . 1 8 8 DT C3' C 13 74.333 0.000 . . . . . . A 8 DT C3' . 34914 1 128 . 1 . 1 8 8 DT C4' C 13 84.529 0.000 . . . . . . A 8 DT C4' . 34914 1 129 . 1 . 1 8 8 DT C5' C 13 65.344 0.000 . . . . . . A 8 DT C5' . 34914 1 130 . 1 . 1 8 8 DT C6 C 13 136.883 0.000 . . . . . . A 8 DT C6 . 34914 1 131 . 1 . 1 8 8 DT P P 31 -1.126 0.000 . . . . . . A 8 DT P . 34914 1 132 . 1 . 1 9 9 L8P H1' H 1 3.518 0.000 . . . . . . A 9 L8P H1' UNMAPPED 34914 1 133 . 1 . 1 9 9 L8P H1'A H 1 3.257 0.000 . . . . . . A 9 L8P H1'A UNMAPPED 34914 1 134 . 1 . 1 9 9 L8P H2' H 1 3.636 0.000 . . . . . . A 9 L8P H2' UNMAPPED 34914 1 135 . 1 . 1 9 9 L8P H3' H 1 4.073 0.000 . . . . . . A 9 L8P H3' UNMAPPED 34914 1 136 . 1 . 1 9 9 L8P H3'A H 1 3.854 0.000 . . . . . . A 9 L8P H3'A UNMAPPED 34914 1 137 . 1 . 1 9 9 L8P H4' H 1 3.750 0.000 . . . . . . A 9 L8P H4' UNMAPPED 34914 1 138 . 1 . 1 9 9 L8P H4'A H 1 3.456 0.000 . . . . . . A 9 L8P H4'A UNMAPPED 34914 1 139 . 1 . 1 9 9 L8P H5 H 1 5.916 0.000 . . . . . . A 9 L8P H5 UNMAPPED 34914 1 140 . 1 . 1 9 9 L8P H6 H 1 7.465 0.000 . . . . . . A 9 L8P H6 UNMAPPED 34914 1 141 . 1 . 1 9 9 L8P C2' C 13 77.768 0.000 . . . . . . A 9 L8P C2' UNMAPPED 34914 1 142 . 1 . 1 9 9 L8P C3' C 13 63.679 0.000 . . . . . . A 9 L8P C3' UNMAPPED 34914 1 143 . 1 . 1 9 9 L8P C4' C 13 63.766 0.000 . . . . . . A 9 L8P C4' UNMAPPED 34914 1 144 . 1 . 1 9 9 L8P C5 C 13 95.474 0.000 . . . . . . A 9 L8P C5 UNMAPPED 34914 1 145 . 1 . 1 9 9 L8P C6 C 13 148.145 0.000 . . . . . . A 9 L8P C6 UNMAPPED 34914 1 146 . 1 . 1 10 10 DG H1' H 1 5.985 0.000 . . . . . . A 10 DG H1' . 34914 1 147 . 1 . 1 10 10 DG H2' H 1 2.655 0.000 . . . . . . A 10 DG H2' . 34914 1 148 . 1 . 1 10 10 DG H2'' H 1 2.765 0.000 . . . . . . A 10 DG H2'' . 34914 1 149 . 1 . 1 10 10 DG H3' H 1 4.890 0.000 . . . . . . A 10 DG H3' . 34914 1 150 . 1 . 1 10 10 DG H4' H 1 4.381 0.000 . . . . . . A 10 DG H4' . 34914 1 151 . 1 . 1 10 10 DG H5' H 1 4.122 0.000 . . . . . . A 10 DG H5' . 34914 1 152 . 1 . 1 10 10 DG H8 H 1 7.962 0.000 . . . . . . A 10 DG H8 . 34914 1 153 . 1 . 1 10 10 DG C1' C 13 82.352 0.000 . . . . . . A 10 DG C1' . 34914 1 154 . 1 . 1 10 10 DG C2' C 13 37.384 0.000 . . . . . . A 10 DG C2' . 34914 1 155 . 1 . 1 10 10 DG C3' C 13 76.104 0.000 . . . . . . A 10 DG C3' . 34914 1 156 . 1 . 1 10 10 DG C4' C 13 85.119 0.000 . . . . . . A 10 DG C4' . 34914 1 157 . 1 . 1 10 10 DG C5' C 13 67.114 0.000 . . . . . . A 10 DG C5' . 34914 1 158 . 1 . 1 10 10 DG C8 C 13 135.503 0.000 . . . . . . A 10 DG C8 . 34914 1 159 . 1 . 1 10 10 DG P P 31 -0.002 0.000 . . . . . . A 10 DG P . 34914 1 160 . 1 . 1 11 11 DC H1' H 1 5.867 0.000 . . . . . . A 11 DC H1' . 34914 1 161 . 1 . 1 11 11 DC H2' H 1 1.909 0.000 . . . . . . A 11 DC H2' . 34914 1 162 . 1 . 1 11 11 DC H2'' H 1 2.363 0.000 . . . . . . A 11 DC H2'' . 34914 1 163 . 1 . 1 11 11 DC H3' H 1 4.818 0.000 . . . . . . A 11 DC H3' . 34914 1 164 . 1 . 1 11 11 DC H4' H 1 4.169 0.000 . . . . . . A 11 DC H4' . 34914 1 165 . 1 . 1 11 11 DC H5 H 1 5.521 0.000 . . . . . . A 11 DC H5 . 34914 1 166 . 1 . 1 11 11 DC H5' H 1 4.124 0.000 . . . . . . A 11 DC H5' . 34914 1 167 . 1 . 1 11 11 DC H5'' H 1 4.196 0.000 . . . . . . A 11 DC H5'' . 34914 1 168 . 1 . 1 11 11 DC H6 H 1 7.380 0.000 . . . . . . A 11 DC H6 . 34914 1 169 . 1 . 1 11 11 DC C1' C 13 83.921 0.000 . . . . . . A 11 DC C1' . 34914 1 170 . 1 . 1 11 11 DC C2' C 13 37.196 0.000 . . . . . . A 11 DC C2' . 34914 1 171 . 1 . 1 11 11 DC C3' C 13 74.137 0.000 . . . . . . A 11 DC C3' . 34914 1 172 . 1 . 1 11 11 DC C4' C 13 83.126 0.000 . . . . . . A 11 DC C4' . 34914 1 173 . 1 . 1 11 11 DC C5 C 13 96.044 0.000 . . . . . . A 11 DC C5 . 34914 1 174 . 1 . 1 11 11 DC C5' C 13 64.572 0.000 . . . . . . A 11 DC C5' . 34914 1 175 . 1 . 1 11 11 DC C6 C 13 140.158 0.000 . . . . . . A 11 DC C6 . 34914 1 176 . 1 . 1 11 11 DC P P 31 -0.895 0.000 . . . . . . A 11 DC P . 34914 1 177 . 1 . 1 12 12 DG H1' H 1 6.183 0.000 . . . . . . A 12 DG H1' . 34914 1 178 . 1 . 1 12 12 DG H2' H 1 2.629 0.000 . . . . . . A 12 DG H2' . 34914 1 179 . 1 . 1 12 12 DG H2'' H 1 2.387 0.000 . . . . . . A 12 DG H2'' . 34914 1 180 . 1 . 1 12 12 DG H3' H 1 4.687 0.000 . . . . . . A 12 DG H3' . 34914 1 181 . 1 . 1 12 12 DG H4' H 1 4.182 0.000 . . . . . . A 12 DG H4' . 34914 1 182 . 1 . 1 12 12 DG H5' H 1 4.102 0.000 . . . . . . A 12 DG H5' . 34914 1 183 . 1 . 1 12 12 DG H8 H 1 7.954 0.000 . . . . . . A 12 DG H8 . 34914 1 184 . 1 . 1 12 12 DG C1' C 13 82.254 0.000 . . . . . . A 12 DG C1' . 34914 1 185 . 1 . 1 12 12 DG C2' C 13 39.153 0.000 . . . . . . A 12 DG C2' . 34914 1 186 . 1 . 1 12 12 DG C3' C 13 70.658 0.000 . . . . . . A 12 DG C3' . 34914 1 187 . 1 . 1 12 12 DG C4' C 13 85.310 0.000 . . . . . . A 12 DG C4' . 34914 1 188 . 1 . 1 12 12 DG C5' C 13 64.442 0.000 . . . . . . A 12 DG C5' . 34914 1 189 . 1 . 1 12 12 DG C8 C 13 136.852 0.000 . . . . . . A 12 DG C8 . 34914 1 190 . 1 . 1 12 12 DG P P 31 -0.871 0.000 . . . . . . A 12 DG P . 34914 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 34914 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H1 #INAME 2 H1 3 4.890 2.655 0 U -9.418e-011 0.00e+000 - 0 44 76 0 # H3p/H2p dG10 4 4.890 4.122 0 U -2.019e-010 0.00e+000 - 0 44 160 0 # H3p/H5p dG10 5 4.888 7.968 0 U -1.533e-004 0.00e+000 - 0 44 24 0 # H3p/H8 dG10 6 4.890 4.381 0 U -3.402e-010 0.00e+000 - 0 44 59 0 # H3p/H4p dG10 7 4.890 2.765 0 U -1.693e-010 0.00e+000 - 0 44 77 0 # H3p/H2pp dG10 9 1.909 5.521 0 U -2.390e-011 0.00e+000 - 0 78 25 0 # H2p/H5 dC11 10 1.909 5.867 0 U -3.233e-011 0.00e+000 - 0 78 55 0 # H2p/H1p dC11 11 1.909 4.818 0 U -1.448e-011 0.00e+000 - 0 78 57 0 # H2p/H3p dC11 12 1.909 4.124 0 U -9.697e-012 0.00e+000 - 0 78 167 0 # H2p/H5p dC11 13 1.917 7.380 0 U -2.626e-010 0.00e+000 - 0 78 26 0 # H2p/H6 dC11 14 1.909 4.169 0 U -9.416e-012 0.00e+000 - 0 78 56 0 # H2p/H4p dC11 15 1.909 4.196 0 U -9.591e-012 0.00e+000 - 0 78 168 0 # H2p/H5pp dC11 17 1.909 7.954 0 U -2.592e-007 0.00e+000 - 0 78 29 0 # H2p dC11/H8 dG12 18 5.521 1.909 0 U -3.045e-008 0.00e+000 - 0 25 78 0 # H5/H2p dC11 21 5.520 7.968 0 U -4.076e-002 0.00e+000 - 0 25 24 0 # H5 dC11/H8 dG10 27 5.521 2.363 0 U -3.556e-008 0.00e+000 - 0 25 79 0 # H5/H2pp dC11 29 6.183 2.387 0 U -1.248e-010 0.00e+000 - 0 28 81 0 # H1p/H2pp dG12 30 6.188 4.179 0 U -2.642e-010 0.00e+000 - 0 28 43 0 # H1p/H4p dG12 31 6.183 2.629 0 U -1.338e-010 0.00e+000 - 0 28 80 0 # H1p/H2p dG12 33 6.187 7.961 0 U -3.089e-005 0.00e+000 - 0 28 29 0 # H1p/H8 dG12 36 7.468 6.071 0 U -1.296e-010 0.00e+000 - 0 82 17 0 # H6/H1p dT8 37 7.465 4.030 0 U -3.027e-011 0.00e+000 - 0 82 38 0 # H6/H4p dT8 38 7.465 2.082 0 U -1.371e-011 0.00e+000 - 0 82 73 0 # H6 dT8/H2pp dT7 39 7.465 3.989 0 U -2.972e-011 0.00e+000 - 0 82 181 0 # H6/H5pp dT8 40 7.465 1.691 0 U -1.207e-011 0.00e+000 - 0 82 204 0 # H6/H7 dT8 41 7.465 3.909 0 U -1.646e-011 0.00e+000 - 0 82 180 0 # H6/H5p dT8 42 7.465 4.724 0 U -4.495e-011 0.00e+000 - 0 82 37 0 # H6/H3p dT8 43 7.465 2.223 0 U -1.439e-011 0.00e+000 - 0 82 75 0 # H6/H2p dT8 44 3.720 3.720 0 U -3.546e-011 0.00e+000 - 0 161 161 0 # H5p/H5p dC1 46 3.720 2.404 0 U -2.071e-011 0.00e+000 - 0 161 63 0 # H5p/H2pp dC1 47 3.720 1.928 0 U -1.758e-011 0.00e+000 - 0 161 62 0 # H5p/H2p dC1 48 3.720 4.076 0 U -4.198e-011 0.00e+000 - 0 161 47 0 # H5p/H4p dC1 50 3.720 7.639 0 U -5.299e-009 0.00e+000 - 0 161 2 0 # H5p/H6 dC1 51 3.720 4.709 0 U -6.008e-011 0.00e+000 - 0 161 45 0 # H5p/H3p dC1 52 2.387 6.183 0 U -5.674e-011 0.00e+000 - 0 81 28 0 # H2pp/H1p dG12 54 2.387 4.182 0 U -1.253e-011 0.00e+000 - 0 81 43 0 # H2pp/H4p dG12 56 2.387 4.102 0 U -1.217e-011 0.00e+000 - 0 81 171 0 # H2pp/H5p dG12 57 2.387 7.954 0 U -3.084e-007 0.00e+000 - 0 81 29 0 # H2pp/H8 dG12 58 2.387 4.687 0 U -1.696e-011 0.00e+000 - 0 81 42 0 # H2pp/H3p dG12 59 3.983 3.983 0 U -5.630e-011 0.00e+000 - 0 128 128 0 # H5pp/H5pp dT7 60 3.983 4.021 0 U -3.080e-011 0.00e+000 - 0 128 133 0 # H5pp/H5p dT7 61 3.983 2.082 0 U -8.677e-012 0.00e+000 - 0 128 73 0 # H5pp/H2pp dT7 63 3.983 4.732 0 U -3.956e-011 0.00e+000 - 0 128 53 0 # H5pp/H3p dT7 64 3.983 4.145 0 U -2.051e-011 0.00e+000 - 0 128 54 0 # H5pp/H4p dT7 65 3.983 1.631 0 U -6.175e-012 0.00e+000 - 0 128 203 0 # H5pp/H7 dT7 66 3.983 2.276 0 U -9.299e-012 0.00e+000 - 0 128 74 0 # H5pp/H2p dT7 67 3.983 7.363 0 U -7.645e-010 0.00e+000 - 0 128 16 0 # H5pp/H6 dT7 68 4.035 4.035 0 U -3.208e-011 0.00e+000 - 0 158 158 0 # H5p/H5p dG4 69 4.035 7.665 0 U -9.131e-009 0.00e+000 - 0 158 10 0 # H5p/H8 dG4 70 4.038 5.662 0 U -1.771e-010 0.00e+000 - 0 158 9 0 # H5p/H1p dG4 71 4.035 3.996 0 U -2.391e-011 0.00e+000 - 0 158 159 0 # H5p/H5pp dG4 72 4.035 4.263 0 U -6.662e-011 0.00e+000 - 0 158 31 0 # H5p/H4p dG4 73 4.035 2.385 0 U -3.031e-011 0.00e+000 - 0 158 68 0 # H5p/H2pp dG4 74 4.035 4.889 0 U -9.877e-011 0.00e+000 - 0 158 30 0 # H5p/H3p dG4 81 5.912 3.257 0 U -3.414e-012 0.00e+000 - 0 19 60 0 # H5/H1pp xC9 84 7.665 4.035 0 U -2.687e-011 0.00e+000 - 0 10 158 0 # H8/H5p dG4 86 7.665 2.152 0 U -8.403e-013 0.00e+000 - 0 10 67 0 # H8 dG4/H2pp dC3 87 7.668 5.666 0 U -7.815e-011 0.00e+000 - 0 10 9 0 # H8/H1p dG4 88 7.665 3.996 0 U -2.635e-011 0.00e+000 - 0 10 159 0 # H8/H5pp dG4 89 7.670 5.813 0 U -8.875e-011 0.00e+000 - 0 10 8 0 # H8 dG4/H1p dC3 90 7.665 4.263 0 U -3.045e-011 0.00e+000 - 0 10 31 0 # H8/H4p dG4 91 7.665 2.385 0 U -1.342e-011 0.00e+000 - 0 10 68 0 # H8/H2pp dG4 92 7.665 4.889 0 U -4.400e-011 0.00e+000 - 0 10 30 0 # H8/H3p dG4 93 7.665 1.605 0 U -7.037e-013 0.00e+000 - 0 10 66 0 # H8 dG4/H2p dC3 95 2.680 4.969 0 U -9.650e-013 0.00e+000 - 0 65 41 0 # H2p/H3p dG2 96 2.680 3.990 0 U -5.465e-013 0.00e+000 - 0 65 135 0 # H2p/H5pp dG2 97 2.680 4.343 0 U 2.550e-012 0.00e+000 - 0 65 58 0 # H2p/H4p dG2 98 2.680 4.089 0 U 4.307e-013 0.00e+000 - 0 65 134 0 # H2p/H5p dG2 100 2.680 5.905 0 U -1.988e-012 0.00e+000 - 0 65 4 0 # H2p/H1p dG2 101 2.680 7.985 0 U -3.441e-005 0.00e+000 - 0 65 5 0 # H2p/H8 dG2 102 4.132 4.132 0 U -2.987e-011 0.00e+000 - 0 142 142 0 # H5p/H5p dA6 103 4.132 2.690 0 U -3.769e-011 0.00e+000 - 0 142 71 0 # H5p/H2p dA6 104 4.132 7.942 0 U 3.750e-007 0.00e+000 - 0 142 196 0 # H5p/H2 dA6 105 4.132 4.885 0 U -8.135e-011 0.00e+000 - 0 142 35 0 # H5p/H3p dA6 106 4.132 2.651 0 U -2.717e-011 0.00e+000 - 0 142 72 0 # H5p/H2pp dA6 107 4.132 4.070 0 U -4.954e-011 0.00e+000 - 0 142 136 0 # H5p/H5pp dA6 108 4.132 4.354 0 U -7.883e-011 0.00e+000 - 0 142 36 0 # H5p/H4p dA6 110 4.132 8.218 0 U -2.023e-008 0.00e+000 - 0 142 14 0 # H5p/H8 dA6 112 3.456 3.456 0 U -2.371e-011 0.00e+000 - 0 210 210 0 # H4pp/H4pp xC9 113 3.456 3.854 0 U -2.853e-011 0.00e+000 - 0 210 206 0 # H4pp/H3pp xC9 114 3.456 3.636 0 U -2.574e-011 0.00e+000 - 0 210 205 0 # H4pp/H2p xC9 115 3.456 7.465 0 U -1.784e-009 0.00e+000 - 0 210 20 0 # H4pp/H6 xC9 116 3.456 4.073 0 U -3.171e-011 0.00e+000 - 0 210 207 0 # H4pp/H3p xC9 117 3.456 3.257 0 U -2.180e-011 0.00e+000 - 0 210 60 0 # H4pp/H1pp xC9 118 3.456 3.518 0 U -2.437e-011 0.00e+000 - 0 210 21 0 # H4pp/H1p xC9 119 3.456 3.750 0 U -2.714e-011 0.00e+000 - 0 210 211 0 # H4pp/H4p xC9 120 5.867 1.909 0 U -3.689e-010 0.00e+000 - 0 55 78 0 # H1p/H2p dC11 125 5.863 7.373 0 U -2.539e-008 0.00e+000 - 0 55 26 0 # H1p/H6 dC11 126 5.867 4.167 0 U -8.879e-010 0.00e+000 - 0 55 56 0 # H1p/H4p dC11 128 5.867 2.363 0 U -4.311e-010 0.00e+000 - 0 55 79 0 # H1p/H2pp dC11 130 3.854 3.456 0 U -3.672e-011 0.00e+000 - 0 206 210 0 # H3pp/H4pp xC9 131 3.854 3.854 0 U -4.420e-011 0.00e+000 - 0 206 206 0 # H3pp/H3pp xC9 132 3.854 3.636 0 U -3.986e-011 0.00e+000 - 0 206 205 0 # H3pp/H2p xC9 133 3.854 7.465 0 U -2.759e-009 0.00e+000 - 0 206 20 0 # H3pp/H6 xC9 134 3.854 4.073 0 U -4.930e-011 0.00e+000 - 0 206 207 0 # H3pp/H3p xC9 135 3.854 3.257 0 U -3.377e-011 0.00e+000 - 0 206 60 0 # H3pp/H1pp xC9 136 3.854 3.518 0 U -3.774e-011 0.00e+000 - 0 206 21 0 # H3pp/H1p xC9 137 3.854 3.750 0 U -4.204e-011 0.00e+000 - 0 206 211 0 # H3pp/H4p xC9 139 7.274 2.152 0 U 1.650e-011 0.00e+000 - 0 7 67 0 # H6/H2pp dC3 140 7.274 4.763 0 U -2.187e-012 0.00e+000 - 0 7 49 0 # H6/H3p dC3 141 7.274 5.809 0 U -4.672e-012 0.00e+000 - 0 7 8 0 # H6/H1p dC3 142 7.274 4.175 0 U -1.555e-012 0.00e+000 - 0 7 172 0 # H6/H5pp dC3 144 7.274 4.085 0 U -1.496e-012 0.00e+000 - 0 7 170 0 # H6/H5p dC3 145 7.274 2.731 0 U -8.389e-013 0.00e+000 - 0 7 64 0 # H6 dC3/H2pp dG2 146 7.274 4.132 0 U -1.510e-012 0.00e+000 - 0 7 48 0 # H6/H4p dC3 147 7.274 5.905 0 U -5.098e-012 0.00e+000 - 0 7 4 0 # H6 dC3/H1p dG2 148 7.274 1.605 0 U 1.379e-011 0.00e+000 - 0 7 66 0 # H6/H2p dC3 149 2.152 7.665 0 U -1.733e-009 0.00e+000 - 0 67 10 0 # H2pp dC3/H8 dG4 150 2.141 7.274 0 U -3.527e-010 0.00e+000 - 0 67 7 0 # H2pp/H6 dC3 152 2.152 4.763 0 U -1.741e-011 0.00e+000 - 0 67 49 0 # H2pp/H3p dC3 153 2.152 5.811 0 U -3.820e-011 0.00e+000 - 0 67 8 0 # H2pp/H1p dC3 154 2.152 4.175 0 U -1.239e-011 0.00e+000 - 0 67 172 0 # H2pp/H5pp dC3 155 2.152 5.487 0 U -2.894e-011 0.00e+000 - 0 67 6 0 # H2pp/H5 dC3 156 2.152 4.085 0 U -1.183e-011 0.00e+000 - 0 67 170 0 # H2pp/H5p dC3 157 2.152 4.132 0 U -1.208e-011 0.00e+000 - 0 67 48 0 # H2pp/H4p dC3 160 3.636 3.456 0 U -2.857e-011 0.00e+000 - 0 205 210 0 # H2p/H4pp xC9 161 3.636 3.854 0 U -3.439e-011 0.00e+000 - 0 205 206 0 # H2p/H3pp xC9 162 3.636 3.636 0 U -3.101e-011 0.00e+000 - 0 205 205 0 # H2p/H2p xC9 163 3.636 7.465 0 U -2.149e-009 0.00e+000 - 0 205 20 0 # H2p/H6 xC9 164 3.636 4.073 0 U -3.834e-011 0.00e+000 - 0 205 207 0 # H2p/H3p xC9 165 3.636 3.257 0 U -2.627e-011 0.00e+000 - 0 205 60 0 # H2p/H1pp xC9 166 3.636 3.518 0 U -2.936e-011 0.00e+000 - 0 205 21 0 # H2p/H1p xC9 167 3.636 3.750 0 U -3.270e-011 0.00e+000 - 0 205 211 0 # H2p/H4p xC9 168 4.179 6.184 0 U -3.578e-010 0.00e+000 - 0 43 28 0 # H4p/H1p dG12 169 4.182 2.387 0 U -3.550e-011 0.00e+000 - 0 43 81 0 # H4p/H2pp dG12 170 4.182 4.182 0 U -5.060e-011 0.00e+000 - 0 43 43 0 # H4p/H4p dG12 171 4.182 2.629 0 U -4.068e-011 0.00e+000 - 0 43 80 0 # H4p/H2p dG12 172 4.182 4.102 0 U -5.922e-011 0.00e+000 - 0 43 171 0 # H4p/H5p dG12 173 4.182 7.954 0 U -2.199e-006 0.00e+000 - 0 43 29 0 # H4p/H8 dG12 174 4.182 4.687 0 U -1.071e-010 0.00e+000 - 0 43 42 0 # H4p/H3p dG12 175 2.690 4.132 0 U -9.673e-012 0.00e+000 - 0 71 142 0 # H2p/H5p dA6 177 2.690 7.942 0 U -5.420e-008 0.00e+000 - 0 71 196 0 # H2p/H2 dA6 178 2.690 4.885 0 U -1.496e-011 0.00e+000 - 0 71 35 0 # H2p/H3p dA6 180 2.690 4.070 0 U -9.424e-012 0.00e+000 - 0 71 136 0 # H2p/H5pp dA6 181 2.690 4.354 0 U -1.162e-011 0.00e+000 - 0 71 36 0 # H2p/H4p dA6 182 2.690 6.199 0 U -4.500e-011 0.00e+000 - 0 71 13 0 # H2p/H1p dA6 183 2.690 8.218 0 U -2.781e-009 0.00e+000 - 0 71 14 0 # H2p/H8 dA6 184 4.021 3.983 0 U -4.673e-011 0.00e+000 - 0 133 128 0 # H5p/H5pp dT7 185 4.021 4.021 0 U -4.887e-011 0.00e+000 - 0 133 133 0 # H5p/H5p dT7 186 4.021 2.082 0 U -2.673e-011 0.00e+000 - 0 133 73 0 # H5p/H2pp dT7 188 4.021 4.732 0 U -6.255e-011 0.00e+000 - 0 133 53 0 # H5p/H3p dT7 189 4.021 4.145 0 U -6.311e-011 0.00e+000 - 0 133 54 0 # H5p/H4p dT7 190 4.021 1.631 0 U -2.167e-011 0.00e+000 - 0 133 203 0 # H5p/H7 dT7 191 4.021 2.276 0 U -2.857e-011 0.00e+000 - 0 133 74 0 # H5p/H2p dT7 192 4.021 7.363 0 U -2.388e-009 0.00e+000 - 0 133 16 0 # H5p/H6 dT7 193 7.942 4.132 0 U -2.152e-011 0.00e+000 - 0 196 142 0 # H2/H5p dA6 194 7.942 2.690 0 U -1.176e-011 0.00e+000 - 0 196 71 0 # H2/H2p dA6 196 7.942 4.885 0 U -3.311e-011 0.00e+000 - 0 196 35 0 # H2/H3p dA6 197 7.942 2.651 0 U -1.065e-011 0.00e+000 - 0 196 72 0 # H2/H2pp dA6 198 7.942 4.070 0 U -2.149e-011 0.00e+000 - 0 196 136 0 # H2/H5pp dA6 199 7.942 4.354 0 U -2.509e-011 0.00e+000 - 0 196 36 0 # H2/H4p dA6 200 7.942 6.199 0 U -9.383e-011 0.00e+000 - 0 196 13 0 # H2/H1p dA6 202 6.075 7.468 0 U -2.127e-008 0.00e+000 - 0 17 82 0 # H1p/H6 dT8 204 6.075 4.027 0 U -3.666e-010 0.00e+000 - 0 17 38 0 # H1p/H4p dT8 206 6.075 1.691 0 U -1.449e-010 0.00e+000 - 0 17 204 0 # H1p/H7 dT8 209 6.075 2.223 0 U -1.729e-010 0.00e+000 - 0 17 75 0 # H1p/H2p dT8 210 4.763 7.274 0 U -7.583e-009 0.00e+000 - 0 49 7 0 # H3p/H6 dC3 211 4.763 2.152 0 U -8.850e-012 0.00e+000 - 0 49 67 0 # H3p/H2pp dC3 214 4.763 4.175 0 U -2.642e-010 0.00e+000 - 0 49 172 0 # H3p/H5pp dC3 216 4.763 4.085 0 U -2.525e-010 0.00e+000 - 0 49 170 0 # H3p/H5p dC3 217 4.763 4.132 0 U -2.573e-010 0.00e+000 - 0 49 48 0 # H3p/H4p dC3 218 4.763 1.605 0 U -7.378e-012 0.00e+000 - 0 49 66 0 # H3p/H2p dC3 221 5.823 2.404 0 U -5.604e-010 0.00e+000 - 0 61 63 0 # H1p/H2pp dC1 222 5.823 1.928 0 U -4.754e-010 0.00e+000 - 0 61 62 0 # H1p/H2p dC1 223 5.828 4.076 0 U -1.108e-009 0.00e+000 - 0 61 47 0 # H1p/H4p dC1 225 5.823 7.639 0 U -1.434e-007 0.00e+000 - 0 61 2 0 # H1p/H6 dC1 228 7.465 3.456 0 U -2.327e-011 0.00e+000 - 0 20 210 0 # H6/H4pp xC9 229 7.465 3.854 0 U -2.792e-011 0.00e+000 - 0 20 206 0 # H6/H3pp xC9 230 7.465 3.636 0 U -2.526e-011 0.00e+000 - 0 20 205 0 # H6/H2p xC9 232 7.465 4.073 0 U -3.109e-011 0.00e+000 - 0 20 207 0 # H6/H3p xC9 233 7.465 3.257 0 U -2.140e-011 0.00e+000 - 0 20 60 0 # H6/H1pp xC9 234 7.465 3.518 0 U -2.392e-011 0.00e+000 - 0 20 21 0 # H6/H1p xC9 235 7.465 3.750 0 U -2.662e-011 0.00e+000 - 0 20 211 0 # H6/H4p xC9 236 4.030 7.465 0 U -3.455e-009 0.00e+000 - 0 38 82 0 # H4p/H6 dT8 237 4.027 6.073 0 U -2.573e-010 0.00e+000 - 0 38 17 0 # H4p/H1p dT8 238 4.030 4.030 0 U -1.539e-011 0.00e+000 - 0 38 38 0 # H4p/H4p dT8 239 4.030 3.989 0 U -1.729e-011 0.00e+000 - 0 38 181 0 # H4p/H5pp dT8 240 4.030 1.691 0 U -2.385e-011 0.00e+000 - 0 38 204 0 # H4p/H7 dT8 241 4.030 3.909 0 U -5.683e-011 0.00e+000 - 0 38 180 0 # H4p/H5p dT8 242 4.030 4.724 0 U -6.381e-011 0.00e+000 - 0 38 37 0 # H4p/H3p dT8 243 4.030 2.223 0 U -2.843e-011 0.00e+000 - 0 38 75 0 # H4p/H2p dT8 244 2.082 7.465 0 U -6.343e-010 0.00e+000 - 0 73 82 0 # H2pp dT7/H6 dT8 245 2.082 3.983 0 U -1.074e-011 0.00e+000 - 0 73 128 0 # H2pp/H5pp dT7 246 2.082 4.021 0 U -1.095e-011 0.00e+000 - 0 73 133 0 # H2pp/H5p dT7 248 2.082 5.854 0 U -3.813e-011 0.00e+000 - 0 73 15 0 # H2pp/H1p dT7 249 2.082 4.732 0 U -1.638e-011 0.00e+000 - 0 73 53 0 # H2pp/H3p dT7 250 2.082 4.145 0 U -1.174e-011 0.00e+000 - 0 73 54 0 # H2pp/H4p dT7 253 2.082 7.363 0 U -4.440e-010 0.00e+000 - 0 73 16 0 # H2pp/H6 dT7 254 4.000 4.000 0 U -7.398e-011 0.00e+000 - 0 177 177 0 # H5p/H5p dA5 255 4.000 4.046 0 U -2.975e-011 0.00e+000 - 0 177 143 0 # H5p/H5pp dA5 257 4.000 8.093 0 U -4.835e-008 0.00e+000 - 0 177 12 0 # H5p/H8 dA5 258 4.000 2.599 0 U -1.776e-011 0.00e+000 - 0 177 69 0 # H5p/H2pp dA5 260 4.000 4.238 0 U -3.558e-011 0.00e+000 - 0 177 34 0 # H5p/H4p dA5 261 4.000 4.930 0 U -5.510e-011 0.00e+000 - 0 177 32 0 # H5p/H3p dA5 262 4.000 2.539 0 U -1.737e-011 0.00e+000 - 0 177 70 0 # H5p/H2p dA5 265 5.985 2.655 0 U -2.624e-010 0.00e+000 - 0 23 76 0 # H1p/H2p dG10 266 5.985 4.119 0 U -4.986e-010 0.00e+000 - 0 23 160 0 # H1p/H5p dG10 267 5.985 7.962 0 U -7.405e-005 0.00e+000 - 0 23 24 0 # H1p/H8 dG10 268 5.985 7.380 0 U -2.007e-008 0.00e+000 - 0 23 26 0 # H1p dG10/H6 dC11 269 5.985 4.381 0 U -5.737e-010 0.00e+000 - 0 23 59 0 # H1p/H4p dG10 270 5.985 2.765 0 U -2.736e-010 0.00e+000 - 0 23 77 0 # H1p/H2pp dG10 271 4.969 2.680 0 U -9.820e-013 0.00e+000 - 0 41 65 0 # H3p/H2p dG2 273 4.969 3.990 0 U -1.089e-012 0.00e+000 - 0 41 135 0 # H3p/H5pp dG2 274 4.969 4.343 0 U -2.126e-012 0.00e+000 - 0 41 58 0 # H3p/H4p dG2 275 4.969 4.089 0 U -1.872e-012 0.00e+000 - 0 41 134 0 # H3p/H5p dG2 276 4.969 2.731 0 U -1.062e-012 0.00e+000 - 0 41 64 0 # H3p/H2pp dG2 278 4.970 7.988 0 U -1.066e-003 0.00e+000 - 0 41 5 0 # H3p/H8 dG2 279 2.655 4.890 0 U -1.298e-011 0.00e+000 - 0 76 44 0 # H2p/H3p dG10 280 2.655 5.985 0 U -5.800e-011 0.00e+000 - 0 76 23 0 # H2p/H1p dG10 282 2.655 4.122 0 U -9.563e-012 0.00e+000 - 0 76 160 0 # H2p/H5p dG10 283 2.655 7.962 0 U -2.320e-006 0.00e+000 - 0 76 24 0 # H2p/H8 dG10 284 2.655 7.380 0 U -5.024e-010 0.00e+000 - 0 76 26 0 # H2p dG10/H6 dC11 285 2.655 4.381 0 U -1.708e-011 0.00e+000 - 0 76 59 0 # H2p/H4p dG10 287 4.122 4.890 0 U -7.157e-011 0.00e+000 - 0 160 44 0 # H5p/H3p dG10 288 4.120 5.983 0 U -2.502e-010 0.00e+000 - 0 160 23 0 # H5p/H1p dG10 289 4.122 2.655 0 U -2.362e-011 0.00e+000 - 0 160 76 0 # H5p/H2p dG10 290 4.122 4.122 0 U -1.149e-010 0.00e+000 - 0 160 160 0 # H5p/H5p dG10 291 4.122 7.962 0 U -9.992e-006 0.00e+000 - 0 160 24 0 # H5p/H8 dG10 292 4.122 4.381 0 U -7.552e-011 0.00e+000 - 0 160 59 0 # H5p/H4p dG10 293 4.122 2.765 0 U -3.694e-011 0.00e+000 - 0 160 77 0 # H5p/H2pp dG10 294 7.962 4.890 0 U -3.264e-011 0.00e+000 - 0 24 44 0 # H8/H3p dG10 295 7.967 5.523 0 U -5.365e-011 0.00e+000 - 0 24 25 0 # H8 dG10/H5 dC11 296 7.967 5.985 0 U -8.127e-011 0.00e+000 - 0 24 23 0 # H8/H1p dG10 297 7.962 2.655 0 U -1.056e-011 0.00e+000 - 0 24 76 0 # H8/H2p dG10 298 7.962 4.122 0 U -1.893e-011 0.00e+000 - 0 24 160 0 # H8/H5p dG10 300 7.962 3.257 0 U -1.462e-011 0.00e+000 - 0 24 60 0 # H8 dG10/H1pp xC9 301 7.962 3.518 0 U -1.638e-011 0.00e+000 - 0 24 21 0 # H8 dG10/H1p xC9 302 7.962 4.381 0 U -2.509e-011 0.00e+000 - 0 24 59 0 # H8/H4p dG10 303 7.962 2.765 0 U -1.199e-011 0.00e+000 - 0 24 77 0 # H8/H2pp dG10 304 4.885 4.132 0 U -1.982e-010 0.00e+000 - 0 35 142 0 # H3p/H5p dA6 305 4.885 2.690 0 U -1.614e-010 0.00e+000 - 0 35 71 0 # H3p/H2p dA6 308 4.885 2.651 0 U -8.774e-011 0.00e+000 - 0 35 72 0 # H3p/H2pp dA6 309 4.885 4.070 0 U -2.936e-010 0.00e+000 - 0 35 136 0 # H3p/H5pp dA6 310 4.885 4.354 0 U -3.306e-010 0.00e+000 - 0 35 36 0 # H3p/H4p dA6 312 4.887 8.218 0 U -8.899e-008 0.00e+000 - 0 35 14 0 # H3p/H8 dA6 313 4.818 1.909 0 U -1.224e-010 0.00e+000 - 0 57 78 0 # H3p/H2p dC11 317 4.818 4.124 0 U -3.015e-010 0.00e+000 - 0 57 167 0 # H3p/H5p dC11 318 4.812 7.380 0 U -1.203e-008 0.00e+000 - 0 57 26 0 # H3p/H6 dC11 319 4.818 4.169 0 U -2.930e-010 0.00e+000 - 0 57 56 0 # H3p/H4p dC11 320 4.818 4.196 0 U -2.986e-010 0.00e+000 - 0 57 168 0 # H3p/H5pp dC11 321 4.818 2.363 0 U -1.429e-010 0.00e+000 - 0 57 79 0 # H3p/H2pp dC11 322 4.124 1.909 0 U -2.734e-011 0.00e+000 - 0 167 78 0 # H5p/H2p dC11 325 4.124 4.818 0 U -1.004e-010 0.00e+000 - 0 167 57 0 # H5p/H3p dC11 326 4.124 4.124 0 U 7.002e-011 0.00e+000 - 0 167 167 0 # H5p/H5p dC11 327 4.124 7.380 0 U -2.692e-009 0.00e+000 - 0 167 26 0 # H5p/H6 dC11 328 4.124 4.169 0 U -4.173e-011 0.00e+000 - 0 167 56 0 # H5p/H4p dC11 329 4.124 4.196 0 U -6.291e-011 0.00e+000 - 0 167 168 0 # H5p/H5pp dC11 330 4.124 2.363 0 U -3.186e-011 0.00e+000 - 0 167 79 0 # H5p/H2pp dC11 331 7.380 1.909 0 U -1.509e-011 0.00e+000 - 0 26 78 0 # H6/H2p dC11 333 7.379 5.865 0 U -1.086e-010 0.00e+000 - 0 26 55 0 # H6/H1p dC11 334 7.379 5.983 0 U -1.391e-010 0.00e+000 - 0 26 23 0 # H6 dC11/H1p dG10 335 7.380 2.655 0 U -1.780e-011 0.00e+000 - 0 26 76 0 # H6 dC11/H2p dG10 336 7.380 4.818 0 U -5.563e-011 0.00e+000 - 0 26 57 0 # H6/H3p dC11 337 7.380 4.124 0 U -3.659e-011 0.00e+000 - 0 26 167 0 # H6/H5p dC11 339 7.380 4.169 0 U -3.579e-011 0.00e+000 - 0 26 56 0 # H6/H4p dC11 340 7.380 4.196 0 U -3.686e-011 0.00e+000 - 0 26 168 0 # H6/H5pp dC11 341 7.380 2.765 0 U -2.048e-011 0.00e+000 - 0 26 77 0 # H6 dC11/H2pp dG10 342 7.380 2.363 0 U -1.762e-011 0.00e+000 - 0 26 79 0 # H6/H2pp dC11 343 5.668 4.039 0 U -3.797e-009 0.00e+000 - 0 9 158 0 # H1p/H5p dG4 344 5.665 7.665 0 U -5.861e-007 0.00e+000 - 0 9 10 0 # H1p/H8 dG4 347 5.670 4.262 0 U -4.175e-009 0.00e+000 - 0 9 31 0 # H1p/H4p dG4 348 5.663 8.093 0 U -5.619e-006 0.00e+000 - 0 9 12 0 # H1p dG4/H8 dA5 349 5.665 2.385 0 U -1.948e-009 0.00e+000 - 0 9 68 0 # H1p/H2pp dG4 350 5.667 4.889 0 U -6.234e-009 0.00e+000 - 0 9 30 0 # H1p/H3p dG4 351 2.629 6.183 0 U -7.381e-011 0.00e+000 - 0 80 28 0 # H2p/H1p dG12 353 2.629 4.182 0 U -1.675e-011 0.00e+000 - 0 80 43 0 # H2p/H4p dG12 355 2.629 4.102 0 U -1.603e-011 0.00e+000 - 0 80 171 0 # H2p/H5p dG12 356 2.629 7.954 0 U -4.449e-007 0.00e+000 - 0 80 29 0 # H2p/H8 dG12 357 2.629 4.687 0 U -2.229e-011 0.00e+000 - 0 80 42 0 # H2p/H3p dG12 358 3.996 4.035 0 U -1.194e-011 0.00e+000 - 0 159 158 0 # H5pp/H5p dG4 359 3.996 7.665 0 U -2.342e-009 0.00e+000 - 0 159 10 0 # H5pp/H8 dG4 361 3.996 3.996 0 U 7.448e-011 0.00e+000 - 0 159 159 0 # H5pp/H5pp dG4 362 3.996 4.263 0 U -1.589e-011 0.00e+000 - 0 159 31 0 # H5pp/H4p dG4 363 3.996 2.385 0 U -8.119e-012 0.00e+000 - 0 159 68 0 # H5pp/H2pp dG4 364 3.996 4.889 0 U -2.628e-011 0.00e+000 - 0 159 30 0 # H5pp/H3p dG4 366 5.811 7.274 0 U -3.684e-008 0.00e+000 - 0 8 7 0 # H1p/H6 dC3 367 5.811 2.152 0 U -2.911e-011 0.00e+000 - 0 8 67 0 # H1p/H2pp dC3 373 5.815 4.130 0 U -1.230e-009 0.00e+000 - 0 8 48 0 # H1p/H4p dC3 374 5.811 1.605 0 U -2.432e-011 0.00e+000 - 0 8 66 0 # H1p/H2p dC3 375 4.169 1.909 0 U -3.096e-011 0.00e+000 - 0 56 78 0 # H4p/H2p dC11 377 4.170 5.867 0 U -2.569e-010 0.00e+000 - 0 56 55 0 # H4p/H1p dC11 378 4.169 4.818 0 U -1.139e-010 0.00e+000 - 0 56 57 0 # H4p/H3p dC11 379 4.169 4.124 0 U -4.699e-011 0.00e+000 - 0 56 167 0 # H4p/H5p dC11 380 4.169 7.380 0 U -3.084e-009 0.00e+000 - 0 56 26 0 # H4p/H6 dC11 381 4.169 4.169 0 U -7.074e-011 0.00e+000 - 0 56 56 0 # H4p/H4p dC11 382 4.169 4.196 0 U -7.037e-011 0.00e+000 - 0 56 168 0 # H4p/H5pp dC11 383 4.169 2.363 0 U -3.523e-011 0.00e+000 - 0 56 79 0 # H4p/H2pp dC11 384 3.990 2.680 0 U -1.141e-012 0.00e+000 - 0 135 65 0 # H5pp/H2p dG2 385 3.990 4.969 0 U -3.376e-012 0.00e+000 - 0 135 41 0 # H5pp/H3p dG2 386 3.990 3.990 0 U -2.733e-010 0.00e+000 - 0 135 135 0 # H5pp/H5pp dG2 387 3.990 4.343 0 U -2.397e-012 0.00e+000 - 0 135 58 0 # H5pp/H4p dG2 388 3.990 4.089 0 U -2.004e-012 0.00e+000 - 0 135 134 0 # H5pp/H5p dG2 389 3.990 2.731 0 U -1.189e-012 0.00e+000 - 0 135 64 0 # H5pp/H2pp dG2 391 3.990 7.985 0 U -1.213e-004 0.00e+000 - 0 135 5 0 # H5pp/H8 dG2 392 3.989 7.465 0 U -9.822e-011 0.00e+000 - 0 181 82 0 # H5pp/H6 dT8 394 3.989 4.030 0 U 2.577e-011 0.00e+000 - 0 181 38 0 # H5pp/H4p dT8 395 3.989 3.989 0 U 2.806e-010 0.00e+000 - 0 181 181 0 # H5pp/H5pp dT8 396 3.989 1.691 0 U -8.985e-013 0.00e+000 - 0 181 204 0 # H5pp/H7 dT8 397 3.989 3.909 0 U -2.159e-012 0.00e+000 - 0 181 180 0 # H5pp/H5p dT8 398 3.989 4.724 0 U 1.930e-011 0.00e+000 - 0 181 37 0 # H5pp/H3p dT8 399 3.989 2.223 0 U -1.049e-012 0.00e+000 - 0 181 75 0 # H5pp/H2p dT8 402 5.854 2.082 0 U -4.198e-010 0.00e+000 - 0 15 73 0 # H1p/H2pp dT7 405 5.854 4.147 0 U -9.473e-010 0.00e+000 - 0 15 54 0 # H1p/H4p dT7 406 5.854 1.631 0 U -3.402e-010 0.00e+000 - 0 15 203 0 # H1p/H7 dT7 407 5.854 2.276 0 U -4.492e-010 0.00e+000 - 0 15 74 0 # H1p/H2p dT7 408 5.854 7.366 0 U -2.707e-008 0.00e+000 - 0 15 16 0 # H1p/H6 dT7 409 2.651 4.132 0 U -1.032e-011 0.00e+000 - 0 72 142 0 # H2pp/H5p dA6 411 2.651 7.942 0 U 2.868e-007 0.00e+000 - 0 72 196 0 # H2pp/H2 dA6 412 2.651 4.885 0 U -1.426e-011 0.00e+000 - 0 72 35 0 # H2pp/H3p dA6 414 2.651 4.070 0 U -1.532e-011 0.00e+000 - 0 72 136 0 # H2pp/H5pp dA6 415 2.651 4.354 0 U -1.705e-011 0.00e+000 - 0 72 36 0 # H2pp/H4p dA6 416 2.651 6.199 0 U -7.294e-011 0.00e+000 - 0 72 13 0 # H2pp/H1p dA6 417 2.651 8.218 0 U -4.490e-009 0.00e+000 - 0 72 14 0 # H2pp/H8 dA6 418 2.651 7.363 0 U -4.691e-010 0.00e+000 - 0 72 16 0 # H2pp dA6/H6 dT7 419 4.046 4.000 0 U -5.007e-011 0.00e+000 - 0 143 177 0 # H5pp/H5p dA5 420 4.046 4.046 0 U -5.367e-011 0.00e+000 - 0 143 143 0 # H5pp/H5pp dA5 422 4.046 8.093 0 U -8.690e-008 0.00e+000 - 0 143 12 0 # H5pp/H8 dA5 423 4.046 2.599 0 U -3.325e-011 0.00e+000 - 0 143 69 0 # H5pp/H2pp dA5 425 4.046 4.238 0 U -6.671e-011 0.00e+000 - 0 143 34 0 # H5pp/H4p dA5 426 4.046 4.930 0 U -1.033e-010 0.00e+000 - 0 143 32 0 # H5pp/H3p dA5 427 4.046 2.539 0 U -3.252e-011 0.00e+000 - 0 143 70 0 # H5pp/H2p dA5 428 4.175 7.274 0 U -2.271e-009 0.00e+000 - 0 172 7 0 # H5pp/H6 dC3 429 4.175 2.152 0 U -2.228e-012 0.00e+000 - 0 172 67 0 # H5pp/H2pp dC3 430 4.175 4.763 0 U -1.112e-010 0.00e+000 - 0 172 49 0 # H5pp/H3p dC3 432 4.175 4.175 0 U 5.183e-012 0.00e+000 - 0 172 172 0 # H5pp/H5pp dC3 434 4.175 4.085 0 U -6.351e-011 0.00e+000 - 0 172 170 0 # H5pp/H5p dC3 435 4.175 4.132 0 U -4.684e-011 0.00e+000 - 0 172 48 0 # H5pp/H4p dC3 436 4.175 1.605 0 U -1.862e-012 0.00e+000 - 0 172 66 0 # H5pp/H2p dC3 437 4.263 4.035 0 U -8.506e-011 0.00e+000 - 0 31 158 0 # H4p/H5p dG4 438 4.263 7.665 0 U -1.290e-008 0.00e+000 - 0 31 10 0 # H4p/H8 dG4 439 4.263 5.668 0 U -2.475e-010 0.00e+000 - 0 31 9 0 # H4p/H1p dG4 440 4.263 3.996 0 U -8.307e-011 0.00e+000 - 0 31 159 0 # H4p/H5pp dG4 441 4.263 4.263 0 U -9.698e-011 0.00e+000 - 0 31 31 0 # H4p/H4p dG4 442 4.263 2.385 0 U -4.287e-011 0.00e+000 - 0 31 68 0 # H4p/H2pp dG4 443 4.263 4.889 0 U -1.402e-010 0.00e+000 - 0 31 30 0 # H4p/H3p dG4 444 2.404 3.720 0 U -4.128e-013 0.00e+000 - 0 63 161 0 # H2pp/H5p dC1 445 2.404 5.823 0 U -1.542e-012 0.00e+000 - 0 63 61 0 # H2pp/H1p dC1 448 2.404 4.076 0 U -3.926e-013 0.00e+000 - 0 63 47 0 # H2pp/H4p dC1 449 2.404 5.951 0 U -1.736e-012 0.00e+000 - 0 63 1 0 # H2pp/H5 dC1 451 2.404 4.709 0 U -4.329e-013 0.00e+000 - 0 63 45 0 # H2pp/H3p dC1 452 2.404 7.985 0 U -2.856e-005 0.00e+000 - 0 63 5 0 # H2pp dC1/H8 dG2 453 4.070 4.132 0 U -6.290e-011 0.00e+000 - 0 136 142 0 # H5pp/H5p dA6 454 4.070 2.690 0 U -3.316e-011 0.00e+000 - 0 136 71 0 # H5pp/H2p dA6 455 4.070 7.942 0 U -4.252e-007 0.00e+000 - 0 136 196 0 # H5pp/H2 dA6 456 4.070 4.885 0 U -9.685e-011 0.00e+000 - 0 136 35 0 # H5pp/H3p dA6 457 4.070 2.651 0 U -3.263e-011 0.00e+000 - 0 136 72 0 # H5pp/H2pp dA6 458 4.070 4.070 0 U -1.190e-010 0.00e+000 - 0 136 136 0 # H5pp/H5pp dA6 459 4.070 4.354 0 U -7.087e-011 0.00e+000 - 0 136 36 0 # H5pp/H4p dA6 461 4.070 8.218 0 U -1.772e-008 0.00e+000 - 0 136 14 0 # H5pp/H8 dA6 462 7.909 4.000 0 U -2.141e-011 0.00e+000 - 0 200 177 0 # H2/H5p dA5 463 7.909 4.046 0 U -2.191e-011 0.00e+000 - 0 200 143 0 # H2/H5pp dA5 466 7.909 2.599 0 U -1.175e-011 0.00e+000 - 0 200 69 0 # H2/H2pp dA5 467 7.909 6.089 0 U -9.480e-011 0.00e+000 - 0 200 11 0 # H2/H1p dA5 468 7.909 4.238 0 U -2.430e-011 0.00e+000 - 0 200 34 0 # H2/H4p dA5 469 7.909 4.930 0 U -3.656e-011 0.00e+000 - 0 200 32 0 # H2/H3p dA5 470 7.909 2.539 0 U -1.149e-011 0.00e+000 - 0 200 70 0 # H2/H2p dA5 471 1.928 3.720 0 U -3.137e-013 0.00e+000 - 0 62 161 0 # H2p/H5p dC1 472 1.928 5.823 0 U -1.164e-012 0.00e+000 - 0 62 61 0 # H2p/H1p dC1 475 1.928 4.076 0 U -3.676e-013 0.00e+000 - 0 62 47 0 # H2p/H4p dC1 476 1.928 5.951 0 U -1.318e-012 0.00e+000 - 0 62 1 0 # H2p/H5 dC1 477 1.933 7.641 0 U -2.679e-010 0.00e+000 - 0 62 2 0 # H2p/H6 dC1 478 1.928 4.709 0 U -5.239e-013 0.00e+000 - 0 62 45 0 # H2p/H3p dC1 479 1.928 7.985 0 U -2.142e-005 0.00e+000 - 0 62 5 0 # H2p dC1/H8 dG2 480 1.691 7.471 0 U -5.225e-010 0.00e+000 - 0 204 82 0 # H7/H6 dT8 481 1.691 6.075 0 U -3.818e-011 0.00e+000 - 0 204 17 0 # H7/H1p dT8 482 1.691 4.030 0 U -8.866e-012 0.00e+000 - 0 204 38 0 # H7/H4p dT8 483 1.691 3.989 0 U -8.678e-012 0.00e+000 - 0 204 181 0 # H7/H5pp dT8 485 1.691 3.909 0 U -8.385e-012 0.00e+000 - 0 204 180 0 # H7/H5p dT8 486 1.691 4.724 0 U -1.311e-011 0.00e+000 - 0 204 37 0 # H7/H3p dT8 488 8.093 4.000 0 U -1.850e-011 0.00e+000 - 0 12 177 0 # H8/H5p dA5 489 8.093 5.665 0 U -5.473e-011 0.00e+000 - 0 12 9 0 # H8 dA5/H1p dG4 490 8.093 4.046 0 U -1.894e-011 0.00e+000 - 0 12 143 0 # H8/H5pp dA5 493 8.093 2.385 0 U -9.395e-012 0.00e+000 - 0 12 68 0 # H8 dA5/H2pp dG4 494 8.093 2.599 0 U -1.015e-011 0.00e+000 - 0 12 69 0 # H8/H2pp dA5 495 8.100 6.087 0 U -8.127e-011 0.00e+000 - 0 12 11 0 # H8/H1p dA5 496 8.093 4.238 0 U -2.099e-011 0.00e+000 - 0 12 34 0 # H8/H4p dA5 497 8.093 4.930 0 U -3.158e-011 0.00e+000 - 0 12 32 0 # H8/H3p dA5 498 8.093 2.539 0 U -9.923e-012 0.00e+000 - 0 12 70 0 # H8/H2p dA5 499 2.385 4.035 0 U -1.229e-011 0.00e+000 - 0 68 158 0 # H2pp/H5p dG4 500 2.390 7.665 0 U -1.552e-009 0.00e+000 - 0 68 10 0 # H2pp/H8 dG4 501 2.385 5.665 0 U -3.590e-011 0.00e+000 - 0 68 9 0 # H2pp/H1p dG4 502 2.385 3.996 0 U -1.206e-011 0.00e+000 - 0 68 159 0 # H2pp/H5pp dG4 503 2.385 4.263 0 U -1.394e-011 0.00e+000 - 0 68 31 0 # H2pp/H4p dG4 504 2.385 8.093 0 U -1.755e-008 0.00e+000 - 0 68 12 0 # H2pp dG4/H8 dA5 506 2.385 4.889 0 U -2.016e-011 0.00e+000 - 0 68 30 0 # H2pp/H3p dG4 508 4.073 3.456 0 U -4.206e-011 0.00e+000 - 0 207 210 0 # H3p/H4pp xC9 509 4.073 3.854 0 U -5.071e-011 0.00e+000 - 0 207 206 0 # H3p/H3pp xC9 510 4.073 3.636 0 U -4.571e-011 0.00e+000 - 0 207 205 0 # H3p/H2p xC9 511 4.073 7.465 0 U -3.156e-009 0.00e+000 - 0 207 20 0 # H3p/H6 xC9 512 4.073 4.073 0 U 1.296e-010 0.00e+000 - 0 207 207 0 # H3p/H3p xC9 513 4.073 3.257 0 U -3.869e-011 0.00e+000 - 0 207 60 0 # H3p/H1pp xC9 514 4.073 3.518 0 U -4.331e-011 0.00e+000 - 0 207 21 0 # H3p/H1p xC9 515 4.073 3.750 0 U -4.715e-011 0.00e+000 - 0 207 211 0 # H3p/H4p xC9 516 4.354 4.132 0 U -6.631e-011 0.00e+000 - 0 36 142 0 # H4p/H5p dA6 517 4.354 2.690 0 U -3.727e-011 0.00e+000 - 0 36 71 0 # H4p/H2p dA6 519 4.354 4.885 0 U -1.023e-010 0.00e+000 - 0 36 35 0 # H4p/H3p dA6 520 4.354 2.651 0 U -3.448e-011 0.00e+000 - 0 36 72 0 # H4p/H2pp dA6 521 4.354 4.070 0 U -6.491e-011 0.00e+000 - 0 36 136 0 # H4p/H5pp dA6 522 4.354 4.354 0 U -7.859e-011 0.00e+000 - 0 36 36 0 # H4p/H4p dA6 523 4.354 6.199 0 U -3.108e-010 0.00e+000 - 0 36 13 0 # H4p/H1p dA6 525 2.599 4.000 0 U -1.507e-011 0.00e+000 - 0 69 177 0 # H2pp/H5p dA5 526 2.599 4.046 0 U -1.543e-011 0.00e+000 - 0 69 143 0 # H2pp/H5pp dA5 527 2.599 7.909 0 U -3.787e-008 0.00e+000 - 0 69 200 0 # H2pp/H2 dA5 528 2.599 8.093 0 U -2.162e-008 0.00e+000 - 0 69 12 0 # H2pp/H8 dA5 530 2.599 6.089 0 U -6.673e-011 0.00e+000 - 0 69 11 0 # H2pp/H1p dA5 531 2.599 4.238 0 U -1.711e-011 0.00e+000 - 0 69 34 0 # H2pp/H4p dA5 532 2.599 4.930 0 U -2.573e-011 0.00e+000 - 0 69 32 0 # H2pp/H3p dA5 534 2.599 8.218 0 U -4.533e-009 0.00e+000 - 0 69 14 0 # H2pp dA5/H8 dA6 538 6.089 8.097 0 U -4.574e-007 0.00e+000 - 0 11 12 0 # H1p/H8 dA5 539 6.089 2.599 0 U -1.886e-010 0.00e+000 - 0 11 69 0 # H1p/H2pp dA5 541 6.089 4.238 0 U -3.902e-010 0.00e+000 - 0 11 34 0 # H1p/H4p dA5 543 6.089 2.539 0 U -1.844e-010 0.00e+000 - 0 11 70 0 # H1p/H2p dA5 544 6.089 8.218 0 U -1.033e-007 0.00e+000 - 0 11 14 0 # H1p dA5/H8 dA6 545 4.076 3.720 0 U -3.951e-011 0.00e+000 - 0 47 161 0 # H4p/H5p dC1 546 4.076 5.826 0 U -1.591e-010 0.00e+000 - 0 47 61 0 # H4p/H1p dC1 547 4.076 2.404 0 U -2.379e-011 0.00e+000 - 0 47 63 0 # H4p/H2pp dC1 548 4.076 1.928 0 U -2.026e-011 0.00e+000 - 0 47 62 0 # H4p/H2p dC1 549 4.076 4.076 0 U -9.023e-011 0.00e+000 - 0 47 47 0 # H4p/H4p dC1 551 4.076 7.639 0 U -6.068e-009 0.00e+000 - 0 47 2 0 # H4p/H6 dC1 552 4.076 4.709 0 U -6.907e-011 0.00e+000 - 0 47 45 0 # H4p/H3p dC1 554 3.257 3.456 0 U -1.837e-011 0.00e+000 - 0 60 210 0 # H1pp/H4pp xC9 555 3.257 3.854 0 U -2.210e-011 0.00e+000 - 0 60 206 0 # H1pp/H3pp xC9 556 3.257 3.636 0 U -1.994e-011 0.00e+000 - 0 60 205 0 # H1pp/H2p xC9 557 3.257 7.465 0 U -1.372e-009 0.00e+000 - 0 60 20 0 # H1pp/H6 xC9 558 3.257 7.962 0 U -3.756e-006 0.00e+000 - 0 60 24 0 # H1pp xC9/H8 dG10 559 3.257 4.073 0 U -2.466e-011 0.00e+000 - 0 60 207 0 # H1pp/H3p xC9 560 3.257 3.257 0 U -1.689e-011 0.00e+000 - 0 60 60 0 # H1pp/H1pp xC9 561 3.257 3.518 0 U -1.888e-011 0.00e+000 - 0 60 21 0 # H1pp/H1p xC9 562 3.257 3.750 0 U -2.102e-011 0.00e+000 - 0 60 211 0 # H1pp/H4p xC9 563 4.196 1.909 0 U -3.235e-011 0.00e+000 - 0 168 78 0 # H5pp/H2p dC11 566 4.196 4.818 0 U -1.192e-010 0.00e+000 - 0 168 57 0 # H5pp/H3p dC11 567 4.196 4.124 0 U -7.689e-011 0.00e+000 - 0 168 167 0 # H5pp/H5p dC11 568 4.196 7.380 0 U -3.238e-009 0.00e+000 - 0 168 26 0 # H5pp/H6 dC11 569 4.196 4.169 0 U -7.249e-011 0.00e+000 - 0 168 56 0 # H5pp/H4p dC11 570 4.196 4.196 0 U -7.444e-011 0.00e+000 - 0 168 168 0 # H5pp/H5pp dC11 571 4.196 2.363 0 U -3.704e-011 0.00e+000 - 0 168 79 0 # H5pp/H2pp dC11 573 3.518 3.456 0 U -2.354e-011 0.00e+000 - 0 21 210 0 # H1p/H4pp xC9 574 3.518 3.854 0 U -2.833e-011 0.00e+000 - 0 21 206 0 # H1p/H3pp xC9 575 3.518 3.636 0 U -2.555e-011 0.00e+000 - 0 21 205 0 # H1p/H2p xC9 576 3.518 7.465 0 U -1.759e-009 0.00e+000 - 0 21 20 0 # H1p/H6 xC9 577 3.518 7.962 0 U -4.820e-006 0.00e+000 - 0 21 24 0 # H1p xC9/H8 dG10 578 3.518 4.073 0 U -3.160e-011 0.00e+000 - 0 21 207 0 # H1p/H3p xC9 579 3.518 3.257 0 U -2.164e-011 0.00e+000 - 0 21 60 0 # H1p/H1pp xC9 580 3.518 3.518 0 U -2.419e-011 0.00e+000 - 0 21 21 0 # H1p/H1p xC9 581 3.518 3.750 0 U -2.694e-011 0.00e+000 - 0 21 211 0 # H1p/H4p xC9 582 4.732 3.983 0 U -1.490e-010 0.00e+000 - 0 53 128 0 # H3p/H5pp dT7 583 4.732 4.021 0 U -1.575e-010 0.00e+000 - 0 53 133 0 # H3p/H5p dT7 584 4.732 2.082 0 U -1.017e-010 0.00e+000 - 0 53 73 0 # H3p/H2pp dT7 587 4.732 4.145 0 U -2.399e-010 0.00e+000 - 0 53 54 0 # H3p/H4p dT7 588 4.732 1.631 0 U -8.249e-011 0.00e+000 - 0 53 203 0 # H3p/H7 dT7 589 4.732 2.276 0 U -1.087e-010 0.00e+000 - 0 53 74 0 # H3p/H2p dT7 590 4.732 7.363 0 U -9.088e-009 0.00e+000 - 0 53 16 0 # H3p/H6 dT7 591 4.381 4.890 0 U -1.534e-010 0.00e+000 - 0 59 44 0 # H4p/H3p dG10 592 4.381 5.985 0 U -3.685e-010 0.00e+000 - 0 59 23 0 # H4p/H1p dG10 593 4.381 2.655 0 U -5.178e-011 0.00e+000 - 0 59 76 0 # H4p/H2p dG10 594 4.381 4.122 0 U -9.865e-011 0.00e+000 - 0 59 160 0 # H4p/H5p dG10 595 4.377 7.965 0 U -2.661e-005 0.00e+000 - 0 59 24 0 # H4p/H8 dG10 596 4.381 4.381 0 U -1.137e-010 0.00e+000 - 0 59 59 0 # H4p/H4p dG10 597 4.381 2.765 0 U -5.425e-011 0.00e+000 - 0 59 77 0 # H4p/H2pp dG10 599 5.487 2.152 0 U -1.531e-005 0.00e+000 - 0 6 67 0 # H5/H2pp dC3 606 5.487 1.605 0 U -1.280e-005 0.00e+000 - 0 6 66 0 # H5/H2p dC3 607 5.484 7.988 0 U 7.863e+001 0.00e+000 - 0 6 5 0 # H5 dC3/H8 dG2 608 4.238 4.000 0 U -8.004e-011 0.00e+000 - 0 34 177 0 # H4p/H5p dA5 609 4.238 4.046 0 U -8.229e-011 0.00e+000 - 0 34 143 0 # H4p/H5pp dA5 611 4.238 8.093 0 U -1.161e-007 0.00e+000 - 0 34 12 0 # H4p/H8 dA5 612 4.238 2.599 0 U -4.445e-011 0.00e+000 - 0 34 69 0 # H4p/H2pp dA5 613 4.238 6.089 0 U -3.587e-010 0.00e+000 - 0 34 11 0 # H4p/H1p dA5 614 4.238 4.238 0 U -9.184e-011 0.00e+000 - 0 34 34 0 # H4p/H4p dA5 615 4.238 4.930 0 U -1.383e-010 0.00e+000 - 0 34 32 0 # H4p/H3p dA5 616 4.238 2.539 0 U -4.347e-011 0.00e+000 - 0 34 70 0 # H4p/H2p dA5 617 2.765 4.890 0 U -2.633e-011 0.00e+000 - 0 77 44 0 # H2pp/H3p dG10 618 2.765 5.985 0 U -6.297e-011 0.00e+000 - 0 77 23 0 # H2pp/H1p dG10 620 2.765 4.122 0 U -1.691e-011 0.00e+000 - 0 77 160 0 # H2pp/H5p dG10 621 2.765 7.962 0 U -2.505e-006 0.00e+000 - 0 77 24 0 # H2pp/H8 dG10 622 2.757 7.380 0 U -6.920e-010 0.00e+000 - 0 77 26 0 # H2pp dG10/H6 dC11 623 2.765 4.381 0 U -1.943e-011 0.00e+000 - 0 77 59 0 # H2pp/H4p dG10 627 5.951 2.404 0 U -2.946e-010 0.00e+000 - 0 1 63 0 # H5/H2pp dC1 628 5.951 1.928 0 U -2.499e-010 0.00e+000 - 0 1 62 0 # H5/H2p dC1 634 2.363 5.521 0 U -3.338e-011 0.00e+000 - 0 79 25 0 # H2pp/H5 dC11 635 2.363 5.867 0 U -4.514e-011 0.00e+000 - 0 79 55 0 # H2pp/H1p dC11 636 2.363 4.818 0 U -2.022e-011 0.00e+000 - 0 79 57 0 # H2pp/H3p dC11 637 2.363 4.124 0 U -1.351e-011 0.00e+000 - 0 79 167 0 # H2pp/H5p dC11 638 2.363 7.380 0 U -5.486e-010 0.00e+000 - 0 79 26 0 # H2pp/H6 dC11 639 2.363 4.169 0 U -1.305e-011 0.00e+000 - 0 79 56 0 # H2pp/H4p dC11 640 2.363 4.196 0 U -1.331e-011 0.00e+000 - 0 79 168 0 # H2pp/H5pp dC11 642 2.363 7.954 0 U -3.779e-007 0.00e+000 - 0 79 29 0 # H2pp dC11/H8 dG12 644 4.102 2.387 0 U -2.457e-011 0.00e+000 - 0 171 81 0 # H5p/H2pp dG12 645 4.102 4.182 0 U -5.150e-011 0.00e+000 - 0 171 43 0 # H5p/H4p dG12 646 4.102 2.629 0 U -2.695e-011 0.00e+000 - 0 171 80 0 # H5p/H2p dG12 647 4.102 4.102 0 U -5.180e-011 0.00e+000 - 0 171 171 0 # H5p/H5p dG12 648 4.102 7.954 0 U -6.785e-007 0.00e+000 - 0 171 29 0 # H5p/H8 dG12 649 4.102 4.687 0 U -7.121e-011 0.00e+000 - 0 171 42 0 # H5p/H3p dG12 651 6.199 2.690 0 U -1.367e-010 0.00e+000 - 0 13 71 0 # H1p/H2p dA6 654 6.199 2.651 0 U -1.321e-010 0.00e+000 - 0 13 72 0 # H1p/H2pp dA6 656 6.201 4.353 0 U -2.922e-010 0.00e+000 - 0 13 36 0 # H1p/H4p dA6 658 6.201 8.221 0 U -7.114e-008 0.00e+000 - 0 13 14 0 # H1p/H8 dA6 659 6.199 7.366 0 U -9.956e-009 0.00e+000 - 0 13 16 0 # H1p dA6/H6 dT7 660 4.889 4.035 0 U -2.873e-010 0.00e+000 - 0 30 158 0 # H3p/H5p dG4 661 4.888 7.665 0 U -4.224e-008 0.00e+000 - 0 30 10 0 # H3p/H8 dG4 662 4.886 5.665 0 U -8.413e-010 0.00e+000 - 0 30 9 0 # H3p/H1p dG4 663 4.889 3.996 0 U -2.841e-010 0.00e+000 - 0 30 159 0 # H3p/H5pp dG4 664 4.889 4.263 0 U -3.291e-010 0.00e+000 - 0 30 31 0 # H3p/H4p dG4 665 4.889 2.385 0 U -1.458e-010 0.00e+000 - 0 30 68 0 # H3p/H2pp dG4 667 4.343 2.680 0 U 7.920e-012 0.00e+000 - 0 58 65 0 # H4p/H2p dG2 668 4.343 4.969 0 U -6.036e-012 0.00e+000 - 0 58 41 0 # H4p/H3p dG2 669 4.343 3.990 0 U -3.395e-012 0.00e+000 - 0 58 135 0 # H4p/H5pp dG2 670 4.343 4.343 0 U 1.403e-011 0.00e+000 - 0 58 58 0 # H4p/H4p dG2 671 4.343 4.089 0 U 2.135e-012 0.00e+000 - 0 58 134 0 # H4p/H5p dG2 672 4.343 2.731 0 U -1.983e-012 0.00e+000 - 0 58 64 0 # H4p/H2pp dG2 673 4.342 5.905 0 U -1.465e-011 0.00e+000 - 0 58 4 0 # H4p/H1p dG2 674 4.343 7.985 0 U -2.081e-004 0.00e+000 - 0 58 5 0 # H4p/H8 dG2 675 7.954 1.909 0 U -8.888e-012 0.00e+000 - 0 29 78 0 # H8 dG12/H2p dC11 676 7.954 6.183 0 U -9.064e-011 0.00e+000 - 0 29 28 0 # H8/H1p dG12 677 7.954 2.387 0 U -9.561e-012 0.00e+000 - 0 29 81 0 # H8/H2pp dG12 678 7.954 4.182 0 U -2.268e-011 0.00e+000 - 0 29 43 0 # H8/H4p dG12 679 7.954 2.629 0 U -1.056e-011 0.00e+000 - 0 29 80 0 # H8/H2p dG12 680 7.954 2.363 0 U -9.458e-012 0.00e+000 - 0 29 79 0 # H8 dG12/H2pp dC11 681 7.954 4.102 0 U -1.920e-011 0.00e+000 - 0 29 171 0 # H8/H5p dG12 683 7.954 4.687 0 U -3.023e-011 0.00e+000 - 0 29 42 0 # H8/H3p dG12 684 4.089 2.680 0 U 2.674e-013 0.00e+000 - 0 134 65 0 # H5p/H2p dG2 685 4.089 4.969 0 U -3.893e-012 0.00e+000 - 0 134 41 0 # H5p/H3p dG2 686 4.089 3.990 0 U -2.001e-012 0.00e+000 - 0 134 135 0 # H5p/H5pp dG2 687 4.089 4.343 0 U 1.491e-013 0.00e+000 - 0 134 58 0 # H5p/H4p dG2 688 4.089 4.089 0 U 9.672e-012 0.00e+000 - 0 134 134 0 # H5p/H5p dG2 689 4.089 2.731 0 U -1.299e-012 0.00e+000 - 0 134 64 0 # H5p/H2pp dG2 691 4.089 7.985 0 U -1.392e-004 0.00e+000 - 0 134 5 0 # H5p/H8 dG2 692 4.085 7.274 0 U -2.816e-010 0.00e+000 - 0 170 7 0 # H5p/H6 dC3 693 4.085 2.152 0 U 2.344e-011 0.00e+000 - 0 170 67 0 # H5p/H2pp dC3 694 4.085 4.763 0 U -1.428e-011 0.00e+000 - 0 170 49 0 # H5p/H3p dC3 696 4.085 4.175 0 U -5.596e-012 0.00e+000 - 0 170 172 0 # H5p/H5pp dC3 698 4.085 4.085 0 U 2.916e-012 0.00e+000 - 0 170 170 0 # H5p/H5p dC3 699 4.085 4.132 0 U 1.315e-012 0.00e+000 - 0 170 48 0 # H5p/H4p dC3 700 4.085 1.605 0 U 1.960e-011 0.00e+000 - 0 170 66 0 # H5p/H2p dC3 701 4.930 4.000 0 U -4.085e-010 0.00e+000 - 0 32 177 0 # H3p/H5p dA5 702 4.930 4.046 0 U -4.182e-010 0.00e+000 - 0 32 143 0 # H3p/H5pp dA5 704 4.930 8.096 0 U -5.544e-007 0.00e+000 - 0 32 12 0 # H3p/H8 dA5 705 4.930 2.599 0 U -2.244e-010 0.00e+000 - 0 32 69 0 # H3p/H2pp dA5 707 4.930 4.238 0 U -4.640e-010 0.00e+000 - 0 32 34 0 # H3p/H4p dA5 709 4.930 2.539 0 U -2.194e-010 0.00e+000 - 0 32 70 0 # H3p/H2p dA5 710 4.145 3.983 0 U -6.917e-011 0.00e+000 - 0 54 128 0 # H4p/H5pp dT7 711 4.145 4.021 0 U -7.047e-011 0.00e+000 - 0 54 133 0 # H4p/H5p dT7 712 4.145 2.082 0 U -3.202e-011 0.00e+000 - 0 54 73 0 # H4p/H2pp dT7 713 4.144 5.848 0 U -2.424e-010 0.00e+000 - 0 54 15 0 # H4p/H1p dT7 714 4.145 4.732 0 U -1.048e-010 0.00e+000 - 0 54 53 0 # H4p/H3p dT7 715 4.145 4.145 0 U -6.702e-011 0.00e+000 - 0 54 54 0 # H4p/H4p dT7 716 4.145 1.631 0 U -2.598e-011 0.00e+000 - 0 54 203 0 # H4p/H7 dT7 717 4.145 2.276 0 U -3.427e-011 0.00e+000 - 0 54 74 0 # H4p/H2p dT7 718 4.145 7.363 0 U -2.816e-009 0.00e+000 - 0 54 16 0 # H4p/H6 dT7 719 7.639 3.720 0 U -2.377e-011 0.00e+000 - 0 2 161 0 # H6/H5p dC1 720 7.639 5.827 0 U -9.255e-011 0.00e+000 - 0 2 61 0 # H6/H1p dC1 721 7.639 2.404 0 U -1.385e-011 0.00e+000 - 0 2 63 0 # H6/H2pp dC1 722 7.639 1.928 0 U -1.178e-011 0.00e+000 - 0 2 62 0 # H6/H2p dC1 723 7.639 4.076 0 U -2.828e-011 0.00e+000 - 0 2 47 0 # H6/H4p dC1 726 7.639 4.709 0 U -4.026e-011 0.00e+000 - 0 2 45 0 # H6/H3p dC1 728 2.718 7.274 0 U -3.793e-010 0.00e+000 - 0 64 7 0 # H2pp dG2/H6 dC3 729 2.731 4.969 0 U -1.045e-012 0.00e+000 - 0 64 41 0 # H2pp/H3p dG2 730 2.731 3.990 0 U -5.980e-013 0.00e+000 - 0 64 135 0 # H2pp/H5pp dG2 731 2.731 4.343 0 U -7.067e-013 0.00e+000 - 0 64 58 0 # H2pp/H4p dG2 732 2.731 4.089 0 U -6.229e-013 0.00e+000 - 0 64 134 0 # H2pp/H5p dG2 734 2.731 5.905 0 U -2.142e-012 0.00e+000 - 0 64 4 0 # H2pp/H1p dG2 735 2.731 7.985 0 U -3.570e-005 0.00e+000 - 0 64 5 0 # H2pp/H8 dG2 737 3.750 3.456 0 U -3.245e-011 0.00e+000 - 0 211 210 0 # H4p/H4pp xC9 738 3.750 3.854 0 U -3.905e-011 0.00e+000 - 0 211 206 0 # H4p/H3pp xC9 739 3.750 3.636 0 U -3.522e-011 0.00e+000 - 0 211 205 0 # H4p/H2p xC9 740 3.750 7.465 0 U -2.441e-009 0.00e+000 - 0 211 20 0 # H4p/H6 xC9 741 3.750 4.073 0 U -4.339e-011 0.00e+000 - 0 211 207 0 # H4p/H3p xC9 742 3.750 3.257 0 U -2.984e-011 0.00e+000 - 0 211 60 0 # H4p/H1pp xC9 743 3.750 3.518 0 U -3.335e-011 0.00e+000 - 0 211 21 0 # H4p/H1p xC9 744 3.750 3.750 0 U -3.714e-011 0.00e+000 - 0 211 211 0 # H4p/H4p xC9 745 4.132 7.274 0 U -2.084e-009 0.00e+000 - 0 48 7 0 # H4p/H6 dC3 746 4.132 2.152 0 U -1.467e-012 0.00e+000 - 0 48 67 0 # H4p/H2pp dC3 747 4.132 4.763 0 U -1.015e-010 0.00e+000 - 0 48 49 0 # H4p/H3p dC3 748 4.132 5.814 0 U -2.246e-010 0.00e+000 - 0 48 8 0 # H4p/H1p dC3 749 4.132 4.175 0 U -4.433e-011 0.00e+000 - 0 48 172 0 # H4p/H5pp dC3 751 4.132 4.085 0 U -4.987e-011 0.00e+000 - 0 48 170 0 # H4p/H5p dC3 752 4.132 4.132 0 U -2.987e-011 0.00e+000 - 0 48 48 0 # H4p/H4p dC3 753 4.132 1.605 0 U -7.817e-013 0.00e+000 - 0 48 66 0 # H4p/H2p dC3 754 2.539 4.000 0 U -1.447e-011 0.00e+000 - 0 70 177 0 # H2p/H5p dA5 755 2.539 4.046 0 U -1.481e-011 0.00e+000 - 0 70 143 0 # H2p/H5pp dA5 756 2.539 7.909 0 U -3.637e-008 0.00e+000 - 0 70 200 0 # H2p/H2 dA5 757 2.539 8.093 0 U -2.076e-008 0.00e+000 - 0 70 12 0 # H2p/H8 dA5 759 2.539 6.089 0 U -6.407e-011 0.00e+000 - 0 70 11 0 # H2p/H1p dA5 760 2.539 4.238 0 U -1.643e-011 0.00e+000 - 0 70 34 0 # H2p/H4p dA5 761 2.539 4.930 0 U -2.471e-011 0.00e+000 - 0 70 32 0 # H2p/H3p dA5 763 3.909 7.465 0 U -2.955e-009 0.00e+000 - 0 180 82 0 # H5p/H6 dT8 765 3.909 4.030 0 U -5.138e-011 0.00e+000 - 0 180 38 0 # H5p/H4p dT8 766 3.909 3.989 0 U -5.029e-011 0.00e+000 - 0 180 181 0 # H5p/H5pp dT8 767 3.909 1.691 0 U -2.040e-011 0.00e+000 - 0 180 204 0 # H5p/H7 dT8 768 3.909 3.909 0 U -4.858e-011 0.00e+000 - 0 180 180 0 # H5p/H5p dT8 769 3.909 4.724 0 U -7.597e-011 0.00e+000 - 0 180 37 0 # H5p/H3p dT8 770 3.909 2.223 0 U -2.433e-011 0.00e+000 - 0 180 75 0 # H5p/H2p dT8 771 1.631 3.983 0 U -8.373e-012 0.00e+000 - 0 203 128 0 # H7/H5pp dT7 772 1.631 4.021 0 U -8.535e-012 0.00e+000 - 0 203 133 0 # H7/H5p dT7 774 1.631 5.854 0 U -2.974e-011 0.00e+000 - 0 203 15 0 # H7/H1p dT7 775 1.631 4.732 0 U -1.276e-011 0.00e+000 - 0 203 53 0 # H7/H3p dT7 776 1.631 4.145 0 U -9.117e-012 0.00e+000 - 0 203 54 0 # H7/H4p dT7 779 1.625 7.363 0 U -3.454e-010 0.00e+000 - 0 203 16 0 # H7/H6 dT7 780 8.218 4.132 0 U -1.805e-011 0.00e+000 - 0 14 142 0 # H8/H5p dA6 781 8.218 2.690 0 U -9.517e-012 0.00e+000 - 0 14 71 0 # H8/H2p dA6 783 8.218 4.885 0 U -2.793e-011 0.00e+000 - 0 14 35 0 # H8/H3p dA6 784 8.218 2.651 0 U -9.360e-012 0.00e+000 - 0 14 72 0 # H8/H2pp dA6 785 8.218 4.070 0 U -1.749e-011 0.00e+000 - 0 14 136 0 # H8/H5pp dA6 786 8.218 4.354 0 U -2.036e-011 0.00e+000 - 0 14 36 0 # H8/H4p dA6 787 8.218 2.599 0 U -9.227e-012 0.00e+000 - 0 14 69 0 # H8 dA6/H2pp dA5 788 8.220 6.085 0 U -7.411e-011 0.00e+000 - 0 14 11 0 # H8 dA6/H1p dA5 789 8.224 6.199 0 U -8.364e-011 0.00e+000 - 0 14 13 0 # H8/H1p dA6 791 4.709 3.720 0 U -1.837e-010 0.00e+000 - 0 45 161 0 # H3p/H5p dC1 793 4.709 2.404 0 U -1.065e-010 0.00e+000 - 0 45 63 0 # H3p/H2pp dC1 794 4.709 1.928 0 U -9.105e-011 0.00e+000 - 0 45 62 0 # H3p/H2p dC1 795 4.709 4.076 0 U -2.179e-010 0.00e+000 - 0 45 47 0 # H3p/H4p dC1 797 4.697 7.639 0 U -2.649e-008 0.00e+000 - 0 45 2 0 # H3p/H6 dC1 799 2.276 3.983 0 U -1.207e-011 0.00e+000 - 0 74 128 0 # H2p/H5pp dT7 800 2.276 4.021 0 U -1.231e-011 0.00e+000 - 0 74 133 0 # H2p/H5p dT7 802 2.276 5.854 0 U -4.287e-011 0.00e+000 - 0 74 15 0 # H2p/H1p dT7 803 2.276 4.732 0 U -1.840e-011 0.00e+000 - 0 74 53 0 # H2p/H3p dT7 804 2.276 4.145 0 U -1.321e-011 0.00e+000 - 0 74 54 0 # H2p/H4p dT7 807 2.276 7.363 0 U -4.997e-010 0.00e+000 - 0 74 16 0 # H2p/H6 dT7 808 5.905 2.680 0 U -1.103e-010 0.00e+000 - 0 4 65 0 # H1p/H2p dG2 809 5.906 7.274 0 U -4.479e-009 0.00e+000 - 0 4 7 0 # H1p dG2/H6 dC3 812 5.908 4.343 0 U -7.321e-011 0.00e+000 - 0 4 58 0 # H1p/H4p dG2 814 5.905 2.731 0 U -1.125e-010 0.00e+000 - 0 4 64 0 # H1p/H2pp dG2 816 5.911 7.987 0 U -1.538e-003 0.00e+000 - 0 4 5 0 # H1p/H8 dG2 817 4.728 7.468 0 U -1.300e-008 0.00e+000 - 0 37 82 0 # H3p/H6 dT8 819 4.724 4.030 0 U -1.538e-010 0.00e+000 - 0 37 38 0 # H3p/H4p dT8 820 4.724 3.989 0 U -1.380e-010 0.00e+000 - 0 37 181 0 # H3p/H5pp dT8 821 4.724 1.691 0 U -8.758e-011 0.00e+000 - 0 37 204 0 # H3p/H7 dT8 822 4.724 3.909 0 U -2.087e-010 0.00e+000 - 0 37 180 0 # H3p/H5p dT8 824 4.724 2.223 0 U -1.044e-010 0.00e+000 - 0 37 75 0 # H3p/H2p dT8 825 1.605 7.665 0 U -1.279e-009 0.00e+000 - 0 66 10 0 # H2p dC3/H8 dG4 826 1.610 7.274 0 U -2.626e-010 0.00e+000 - 0 66 7 0 # H2p/H6 dC3 828 1.605 4.763 0 U -1.284e-011 0.00e+000 - 0 66 49 0 # H2p/H3p dC3 829 1.605 5.811 0 U -2.819e-011 0.00e+000 - 0 66 8 0 # H2p/H1p dC3 830 1.605 4.175 0 U -9.142e-012 0.00e+000 - 0 66 172 0 # H2p/H5pp dC3 831 1.605 5.487 0 U -2.136e-011 0.00e+000 - 0 66 6 0 # H2p/H5 dC3 832 1.605 4.085 0 U -8.733e-012 0.00e+000 - 0 66 170 0 # H2p/H5p dC3 833 1.605 4.132 0 U -8.876e-012 0.00e+000 - 0 66 48 0 # H2p/H4p dC3 835 7.363 3.983 0 U -3.521e-011 0.00e+000 - 0 16 128 0 # H6/H5pp dT7 836 7.363 4.021 0 U -3.589e-011 0.00e+000 - 0 16 133 0 # H6/H5p dT7 837 7.363 2.082 0 U -1.629e-011 0.00e+000 - 0 16 73 0 # H6/H2pp dT7 838 7.367 5.851 0 U -1.086e-010 0.00e+000 - 0 16 15 0 # H6/H1p dT7 839 7.363 2.651 0 U -1.817e-011 0.00e+000 - 0 16 72 0 # H6 dT7/H2pp dA6 840 7.363 4.732 0 U -5.367e-011 0.00e+000 - 0 16 53 0 # H6/H3p dT7 841 7.368 6.203 0 U -1.777e-010 0.00e+000 - 0 16 13 0 # H6 dT7/H1p dA6 842 7.363 4.145 0 U -3.746e-011 0.00e+000 - 0 16 54 0 # H6/H4p dT7 843 7.363 1.631 0 U -1.322e-011 0.00e+000 - 0 16 203 0 # H6/H7 dT7 844 7.363 2.276 0 U -1.743e-011 0.00e+000 - 0 16 74 0 # H6/H2p dT7 847 4.687 2.387 0 U -9.793e-011 0.00e+000 - 0 42 81 0 # H3p/H2pp dG12 848 4.687 4.182 0 U -2.137e-010 0.00e+000 - 0 42 43 0 # H3p/H4p dG12 849 4.687 2.629 0 U -1.080e-010 0.00e+000 - 0 42 80 0 # H3p/H2p dG12 850 4.687 4.102 0 U -2.047e-010 0.00e+000 - 0 42 171 0 # H3p/H5p dG12 851 4.682 7.957 0 U -1.053e-005 0.00e+000 - 0 42 29 0 # H3p/H8 dG12 853 2.228 7.468 0 U -7.008e-010 0.00e+000 - 0 75 82 0 # H2p/H6 dT8 854 2.223 6.075 0 U -5.165e-011 0.00e+000 - 0 75 17 0 # H2p/H1p dT8 855 2.223 4.030 0 U -1.199e-011 0.00e+000 - 0 75 38 0 # H2p/H4p dT8 856 2.223 3.989 0 U -1.173e-011 0.00e+000 - 0 75 181 0 # H2p/H5pp dT8 858 2.223 3.909 0 U -1.134e-011 0.00e+000 - 0 75 180 0 # H2p/H5p dT8 859 2.223 4.724 0 U -1.772e-011 0.00e+000 - 0 75 37 0 # H2p/H3p dT8 861 7.985 2.680 0 U -1.134e-011 0.00e+000 - 0 5 65 0 # H8/H2p dG2 862 7.985 4.969 0 U -3.526e-011 0.00e+000 - 0 5 41 0 # H8/H3p dG2 863 7.985 3.990 0 U -2.008e-011 0.00e+000 - 0 5 135 0 # H8/H5pp dG2 864 7.985 2.404 0 U -1.029e-011 0.00e+000 - 0 5 63 0 # H8 dG2/H2pp dC1 865 7.985 1.928 0 U -8.737e-012 0.00e+000 - 0 5 62 0 # H8 dG2/H2p dC1 866 7.985 5.481 0 U -5.112e-011 0.00e+000 - 0 5 6 0 # H8 dG2/H5 dC3 867 7.985 4.343 0 U -2.416e-011 0.00e+000 - 0 5 58 0 # H8/H4p dG2 868 7.985 4.089 0 U -2.107e-011 0.00e+000 - 0 5 134 0 # H8/H5p dG2 869 7.985 2.731 0 U -1.160e-011 0.00e+000 - 0 5 64 0 # H8/H2pp dG2 870 7.988 5.901 0 U -7.362e-011 0.00e+000 - 0 5 4 0 # H8/H1p dG2 871 8.093 7.665 0 U -2.828e-009 0.00e+000 - 0 12 10 0 # H8 dA5/H8 dG4 872 7.467 3.909 0 U -1.262e-011 0.00e+000 - 0 20 180 0 # H6 xC9/H5p dT8 873 7.467 7.962 0 U -2.368e-006 0.00e+000 - 0 20 24 0 # H6 xC9/H8 dG10 874 4.238 5.665 0 U -2.367e-010 0.00e+000 - 0 34 9 0 # H4p dA5/H1p dG4 875 7.274 7.985 0 U -8.456e-005 0.00e+000 - 0 7 5 0 # H6 dC3/H8 dG2 876 7.962 7.380 0 U -8.843e-010 0.00e+000 - 0 24 26 0 # H8 dG10/H6 dC11 877 4.122 3.257 0 U -4.502e-011 0.00e+000 - 0 160 60 0 # H5p dG10/H1pp xC9 878 7.985 7.274 0 U -6.303e-010 0.00e+000 - 0 5 7 0 # H8 dG2/H6 dC3 879 3.456 4.030 0 U -3.106e-011 0.00e+000 - 0 210 38 0 # H4pp xC9/H4p dT8 880 3.636 2.223 0 U -1.769e-011 0.00e+000 - 0 205 75 0 # H2p xC9/H2p dT8 881 7.467 7.962 0 U -2.368e-006 0.00e+000 - 0 20 24 0 # H6 xC9/H8 dG10 882 2.223 3.636 0 U -9.978e-012 0.00e+000 - 0 75 205 0 # H2p dT8/H2p xC9 883 4.030 3.456 0 U -4.606e-011 0.00e+000 - 0 38 210 0 # H4p dT8/H4pp xC9 884 7.962 7.467 0 U -1.205e-009 0.00e+000 - 0 24 20 0 # H8 dG10/H6 xC9 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . 'not observed' 6001.328 Hz . . . 4.69 . . 34914 1 2 . . H 1 H . 'not observed' 6009.615 Hz . . . 4.69 . . 34914 1 stop_ save_