data_c17535_2lar ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c17535_2lar _Entry.Title ; DNA / RNA Hybrid containing a central stereo specific Rp borano phosphate linkage ; _Entry.Version_type original _Entry.Submission_date 2011-03-18 _Entry.Accession_date 2011-03-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Christopher Johnson . N. . c17535_2lar 2 Alexander Spring . M. . c17535_2lar 3 Barbara Shaw . R. . c17535_2lar 4 Markus Germann . W. . c17535_2lar stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c17535_2lar stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA / RNA hybrid' . c17535_2lar 'modified ODN' . c17535_2lar 'Nuclear Magnetic Resonance' . c17535_2lar 'nucleic acid heteroduplex' . c17535_2lar NMR . c17535_2lar 'RNase H' . c17535_2lar 'nucleic acid conformation' . c17535_2lar 'substrate specificity' . c17535_2lar DNA . c17535_2lar RNA . c17535_2lar 'modified oligonucleotides' . c17535_2lar 'RNase H1 activity' . c17535_2lar stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c17535_2lar stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 130 c17535_2lar '13C chemical shifts' 36 c17535_2lar '31P chemical shifts' 16 c17535_2lar '11B chemical shifts' 1 c17535_2lar 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 . . 2011-05-12 2011-03-18 original author . c17535_2lar stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c17535_2lar _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21443203 _Citation.Full_citation . _Citation.Title 'Structural Basis of the RNase H1 Activity on Stereo Regular Borano Phosphonate DNA/RNA Hybrids.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 3903 _Citation.Page_last 3912 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Christopher Johnson . N. . c17535_2lar 1 2 Alexander Spring . M. . c17535_2lar 1 3 Dimitri Sergueev . . . c17535_2lar 1 4 Barbara Shaw . R. . c17535_2lar 1 5 Markus Germann . W. . c17535_2lar 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c17535_2lar _Assembly.ID 1 _Assembly.Name 'DNA/RNA hybrid' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 DNA_chain_A 1 $DNA_chain_A A . yes native no no . . . c17535_2lar 1 2 RNA_chain_B 2 $RNA_chain_B B . yes native no no . . . c17535_2lar 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_chain_A _Entity.Sf_category entity _Entity.Sf_framecode DNA_chain_A _Entity.Entry_ID c17535_2lar _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_(5'-D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3')_ _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 ATGGTXCTC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2417.623 _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 . DA . c17535_2lar 1 2 . DT . c17535_2lar 1 3 . DG . c17535_2lar 1 4 . DG . c17535_2lar 1 5 . DT . c17535_2lar 1 6 . BGR . c17535_2lar 1 7 . DC . c17535_2lar 1 8 . DT . c17535_2lar 1 9 . DC . c17535_2lar 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 . DA 1 1 c17535_2lar 1 . DT 2 2 c17535_2lar 1 . DG 3 3 c17535_2lar 1 . DG 4 4 c17535_2lar 1 . DT 5 5 c17535_2lar 1 . BGR 6 6 c17535_2lar 1 . DC 7 7 c17535_2lar 1 . DT 8 8 c17535_2lar 1 . DC 9 9 c17535_2lar 1 stop_ save_ save_RNA_chain_B _Entity.Sf_category entity _Entity.Sf_framecode RNA_chain_B _Entity.Entry_ID c17535_2lar _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3')_ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GAGCACCAU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2854.802 _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 10 G . c17535_2lar 2 2 11 A . c17535_2lar 2 3 12 G . c17535_2lar 2 4 13 C . c17535_2lar 2 5 14 A . c17535_2lar 2 6 15 C . c17535_2lar 2 7 16 C . c17535_2lar 2 8 17 A . c17535_2lar 2 9 18 U . c17535_2lar 2 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 . G 1 1 c17535_2lar 2 . A 2 2 c17535_2lar 2 . G 3 3 c17535_2lar 2 . C 4 4 c17535_2lar 2 . A 5 5 c17535_2lar 2 . C 6 6 c17535_2lar 2 . C 7 7 c17535_2lar 2 . A 8 8 c17535_2lar 2 . U 9 9 c17535_2lar 2 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 c17535_2lar _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DNA_chain_A . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 2 2 $RNA_chain_B . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17535_2lar 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 c17535_2lar _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DNA_chain_A . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 2 2 $RNA_chain_B . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BGR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BGR _Chem_comp.Entry_ID c17535_2lar _Chem_comp.ID BGR _Chem_comp.Provenance . _Chem_comp.Name [[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code BGR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2011-04-13 _Chem_comp.Modified_date 2011-04-14 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BGR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _Chem_comp.Mon_nstd_flag . _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 . _Chem_comp.Formal_charge -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 B N5 O6 P' _Chem_comp.Formula_weight 344.049 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2LAR _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 15 10:17:24 2011 ; _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 InChI=1S/C10H16BN5O6P/c11-23(19,20)21-2-5-4(17)1-6(22-5)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,11H3,(H,19,20)(H3,12,14,15,18)/q-1/t4-,5+,6+/m0/s1 InChI InChI 1.02 c17535_2lar BGR OGYNVDIIXYYPGI-KVQBGUIXSA-N InChIKey InChI 1.02 c17535_2lar BGR [BH3-][P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC(=Nc23)N SMILES_CANONICAL CACTVS 3.370 c17535_2lar BGR [BH3-][P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N SMILES CACTVS 3.370 c17535_2lar BGR [BH3-]P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c17535_2lar BGR [BH3-]P(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C(NC3=O)N)O SMILES 'OpenEye OEToolkits' 1.7.0 c17535_2lar BGR 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 [[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c17535_2lar BGR 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 . . N 0 . . . . no no . . . . 16.597 . 25.348 . 35.959 . -5.101 -0.837 0.335 1 . c17535_2lar BGR N1 . N1 . . N . . N 0 . . . . no no . . . . 18.486 . 22.093 . 26.620 . 5.580 -0.468 0.342 2 . c17535_2lar BGR C2 . C2 . . C . . N 0 . . . . no no . . . . 17.678 . 23.170 . 26.496 . 4.966 0.586 0.950 3 . c17535_2lar BGR N2 . N2 . . N . . N 0 . . . . no no . . . . 17.308 . 23.499 . 25.286 . 5.724 1.471 1.676 4 . c17535_2lar BGR N3 . N3 . . N . . N 0 . . . . no no . . . . 17.184 . 23.860 . 27.519 . 3.669 0.780 0.862 5 . c17535_2lar BGR C4 . C4 . . C . . N 0 . . . . yes no . . . . 17.546 . 23.323 . 28.728 . 2.891 -0.056 0.165 6 . c17535_2lar BGR C5 . C5 . . C . . N 0 . . . . yes no . . . . 18.335 . 22.218 . 28.973 . 3.462 -1.158 -0.483 7 . c17535_2lar BGR C6 . C6 . . C . . N 0 . . . . no no . . . . 18.889 . 21.550 . 27.824 . 4.859 -1.354 -0.380 8 . c17535_2lar BGR O6 . O6 . . O . . N 0 . . . . no no . . . . 19.639 . 20.577 . 27.764 . 5.399 -2.300 -0.928 9 . c17535_2lar BGR N7 . N7 . . N . . N 0 . . . . yes no . . . . 18.381 . 21.940 . 30.358 . 2.458 -1.825 -1.103 10 . c17535_2lar BGR C8 . C8 . . C . . N 0 . . . . yes no . . . . 17.639 . 22.888 . 30.877 . 1.332 -1.213 -0.879 11 . c17535_2lar BGR N9 . N9 . . N . . N 0 . . . . yes no . . . . 17.157 . 23.767 . 29.961 . 1.549 -0.114 -0.100 12 . c17535_2lar BGR BP . BP . . B . . N -1 . . . . no no . . . . 15.672 . 26.919 . 36.635 . -6.488 0.417 0.136 13 . c17535_2lar BGR C1' . C1' . . C . . R 0 . . . . no no . . . . 16.278 . 24.891 . 30.248 . 0.533 0.832 0.368 14 . c17535_2lar BGR C2' . C2' . . C . . N 0 . . . . no no . . . . 14.851 . 24.393 . 30.491 . 0.458 2.037 -0.590 15 . c17535_2lar BGR C3' . C3' . . C . . S 0 . . . . no no . . . . 14.431 . 24.939 . 31.849 . -1.011 2.041 -1.080 16 . c17535_2lar BGR O3' . O3' . . O . . N 0 . . . . no no . . . . 13.199 . 25.656 . 31.732 . -1.525 3.373 -1.139 17 . c17535_2lar BGR C4' . C4' . . C . . R 0 . . . . no no . . . . 15.587 . 25.887 . 32.155 . -1.724 1.221 0.024 18 . c17535_2lar BGR O4' . O4' . . O . . N 0 . . . . no no . . . . 16.734 . 25.468 . 31.455 . -0.760 0.202 0.363 19 . c17535_2lar BGR C5' . C5' . . C . . N 0 . . . . no no . . . . 15.842 . 26.244 . 33.615 . -3.008 0.589 -0.518 20 . c17535_2lar BGR O5' . O5' . . O . . N 0 . . . . no no . . . . 16.189 . 25.134 . 34.423 . -3.704 -0.063 0.545 21 . c17535_2lar BGR OP1 . OP1 . . O . . N 0 . . . . no no . . . . 16.364 . 24.032 . 36.622 . -5.019 -1.680 -0.879 22 . c17535_2lar BGR OP2 . OP2 . . O . . N 0 . . . . no no . . . . 18.297 . 25.599 . 36.039 . -5.397 -1.766 1.615 23 . c17535_2lar BGR HN1 . HN1 . . H . . N 0 . . . . no no . . . . 18.815 . 21.659 . 25.781 . 6.540 -0.579 0.423 24 . c17535_2lar BGR H8 . H8 . . H . . N 0 . . . . no no . . . . 17.431 . 22.963 . 31.934 . 0.369 -1.528 -1.254 25 . c17535_2lar BGR H1BP . H1BP . . H . . N 0 . . . . no no . . . . 15.967 . 27.093 . 37.785 . -6.265 1.115 -0.827 26 . c17535_2lar BGR H2BP . H2BP . . H . . N 0 . . . . no no . . . . 15.991 . 27.879 . 35.990 . -7.537 -0.165 -0.023 27 . c17535_2lar BGR H3BP . H3BP . . H . . N 0 . . . . no no . . . . 14.487 . 26.754 . 36.547 . -6.554 1.106 1.128 28 . c17535_2lar BGR H1' . H1' . . H . . N 0 . . . . no no . . . . 16.284 . 25.601 . 29.408 . 0.778 1.172 1.374 29 . c17535_2lar BGR H2' . H2' . . H . . N 0 . . . . no no . . . . 14.176 . 24.758 . 29.703 . 0.685 2.961 -0.059 30 . c17535_2lar BGR H2'A . H2'A . . H . . N 0 . . . . no no . . . . 14.821 . 23.293 . 30.492 . 1.140 1.900 -1.429 31 . c17535_2lar BGR HN2 . HN2 . . H . . N 0 . . . . no no . . . . 16.668 . 24.254 . 25.147 . 6.682 1.341 1.750 32 . c17535_2lar BGR HN2A . HN2A . . H . . N 0 . . . . no no . . . . 17.665 . 22.995 . 24.500 . 5.301 2.226 2.114 33 . c17535_2lar BGR H3' . H3' . . H . . N 0 . . . . no no . . . . 14.259 . 24.175 . 32.622 . -1.099 1.549 -2.049 34 . c17535_2lar BGR H4' . H4' . . H . . N 0 . . . . no no . . . . 15.264 . 26.870 . 31.782 . -1.940 1.848 0.889 35 . c17535_2lar BGR H5' . H5' . . H . . N 0 . . . . no no . . . . 16.673 . 26.964 . 33.650 . -3.642 1.365 -0.947 36 . c17535_2lar BGR H5'A . H5'A . . H . . N 0 . . . . no no . . . . 14.922 . 26.688 . 34.023 . -2.756 -0.140 -1.288 37 . c17535_2lar BGR H15 . H15 . . H . . N 0 . . . . no no . . . . 12.946 . 25.992 . 32.584 . -1.050 3.951 -1.752 38 . c17535_2lar BGR H16 . H16 . . H . . N 0 . . . . no no . . . . 18.706 . 24.862 . 36.477 . -5.464 -1.279 2.448 39 . c17535_2lar BGR 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 BP no N 1 . c17535_2lar BGR 2 . SING P O5' no N 2 . c17535_2lar BGR 3 . DOUB P OP1 no N 3 . c17535_2lar BGR 4 . SING P OP2 no N 4 . c17535_2lar BGR 5 . SING N1 C2 no N 5 . c17535_2lar BGR 6 . SING N1 C6 no N 6 . c17535_2lar BGR 7 . SING N1 HN1 no N 7 . c17535_2lar BGR 8 . SING C2 N2 no N 8 . c17535_2lar BGR 9 . DOUB C2 N3 no N 9 . c17535_2lar BGR 10 . SING N2 HN2 no N 10 . c17535_2lar BGR 11 . SING N2 HN2A no N 11 . c17535_2lar BGR 12 . SING N3 C4 no N 12 . c17535_2lar BGR 13 . DOUB C4 C5 yes N 13 . c17535_2lar BGR 14 . SING C4 N9 yes N 14 . c17535_2lar BGR 15 . SING C5 C6 no N 15 . c17535_2lar BGR 16 . SING C5 N7 yes N 16 . c17535_2lar BGR 17 . DOUB C6 O6 no N 17 . c17535_2lar BGR 18 . DOUB N7 C8 yes N 18 . c17535_2lar BGR 19 . SING C8 N9 yes N 19 . c17535_2lar BGR 20 . SING C8 H8 no N 20 . c17535_2lar BGR 21 . SING N9 C1' no N 21 . c17535_2lar BGR 22 . SING BP H1BP no N 22 . c17535_2lar BGR 23 . SING BP H2BP no N 23 . c17535_2lar BGR 24 . SING BP H3BP no N 24 . c17535_2lar BGR 25 . SING C1' C2' no N 25 . c17535_2lar BGR 26 . SING C1' O4' no N 26 . c17535_2lar BGR 27 . SING C1' H1' no N 27 . c17535_2lar BGR 28 . SING C2' C3' no N 28 . c17535_2lar BGR 29 . SING C2' H2' no N 29 . c17535_2lar BGR 30 . SING C2' H2'A no N 30 . c17535_2lar BGR 31 . SING C3' O3' no N 31 . c17535_2lar BGR 32 . SING C3' C4' no N 32 . c17535_2lar BGR 33 . SING C3' H3' no N 33 . c17535_2lar BGR 34 . SING C4' O4' no N 34 . c17535_2lar BGR 35 . SING C4' C5' no N 35 . c17535_2lar BGR 36 . SING C4' H4' no N 36 . c17535_2lar BGR 37 . SING C5' O5' no N 37 . c17535_2lar BGR 38 . SING C5' H5' no N 38 . c17535_2lar BGR 39 . SING C5' H5'A no N 39 . c17535_2lar BGR 40 . SING O3' H15 no N 40 . c17535_2lar BGR 41 . SING OP2 H16 no N 41 . c17535_2lar BGR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H2O_D2O _Sample.Sf_category sample _Sample.Sf_framecode H2O_D2O _Sample.Entry_ID c17535_2lar _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 DNA_chain_A 'natural abundance' . . 1 $DNA_chain_A . . 1.0 . . mM . . . . c17535_2lar 1 2 RNA_chain_B 'natural abundance' . . 2 $RNA_chain_B . . 1.0 . . mM . . . . c17535_2lar 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . c17535_2lar 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c17535_2lar 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . c17535_2lar 1 6 DSS 'natural abundance' . . . . . . 0.3 . . uM . . . . c17535_2lar 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . c17535_2lar 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . c17535_2lar 1 stop_ save_ save_D2O _Sample.Sf_category sample _Sample.Sf_framecode D2O _Sample.Entry_ID c17535_2lar _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.999 % 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 DNA_chain_A 'natural abundance' . . 1 $DNA_chain_A . . 1.0 . . mM . . . . c17535_2lar 2 2 RNA_chain_B 'natural abundance' . . 2 $RNA_chain_B . . 1.0 . . mM . . . . c17535_2lar 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . c17535_2lar 2 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c17535_2lar 2 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . c17535_2lar 2 6 DSS 'natural abundance' . . . . . . 0.3 . . uM . . . . c17535_2lar 2 7 D2O 'natural abundance' . . . . . . 99.999 . . % . . . . c17535_2lar 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 c17535_2lar _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K c17535_2lar 1 pH 7.0 . pH c17535_2lar 1 pressure 1 . atm c17535_2lar 1 'ionic strength' 50 . mM c17535_2lar 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID c17535_2lar _Software.ID 1 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . c17535_2lar 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c17535_2lar 1 'geometry optimization' c17535_2lar 1 refinement c17535_2lar 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID c17535_2lar _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c17535_2lar 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c17535_2lar 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID c17535_2lar _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c17535_2lar 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c17535_2lar 3 'chemical shift calculation' c17535_2lar 3 processing c17535_2lar 3 stop_ save_ save_CORMA _Software.Sf_category software _Software.Sf_framecode CORMA _Software.Entry_ID c17535_2lar _Software.ID 4 _Software.Name CORMA _Software.Version 5.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CORMA) Dr. Thomas James' . . c17535_2lar 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c17535_2lar 4 stop_ save_ save_MARDIGRAS _Software.Sf_category software _Software.Sf_framecode MARDIGRAS _Software.Entry_ID c17535_2lar _Software.ID 5 _Software.Name MARDIGRAS _Software.Version 5.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Thomas James' . . c17535_2lar 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c17535_2lar 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID c17535_2lar _Software.ID 6 _Software.Name SPARKY _Software.Version 3.98 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c17535_2lar 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c17535_2lar 6 'chemical shift assignment' c17535_2lar 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c17535_2lar _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID c17535_2lar _NMR_spectrometer.ID 2 _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 c17535_2lar _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . c17535_2lar 1 2 spectrometer_2 Bruker Avance . 500 . . . c17535_2lar 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 c17535_2lar _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $H2O_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 4 '2D DQF-COSY' no . . . . . . . . . . 2 $D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 6 '2D 1H-31P CORR' no . . . . . . . . . . 2 $D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . c17535_2lar 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c17535_2lar _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '11B - referenced to 0.80M borate from tris borate EDTA 198K pH 8.36' 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c17535_2lar 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . c17535_2lar 1 P 31 'phosphoric acid (85%)' PO4 . . . . ppm 1.46 external direct 0.4048086 . . . . . . . . . c17535_2lar 1 B 11 borate B(OH)3 . . . . ppm 0.0 external direct 0.3208598 . . . . . . . . . c17535_2lar 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_chem_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assigned_chem_shifts _Assigned_chem_shift_list.Entry_ID c17535_2lar _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 2 '2D 1H-13C HSQC' . . . c17535_2lar 1 3 '2D 1H-1H TOCSY' . . . c17535_2lar 1 5 '2D 1H-1H NOESY' . . . c17535_2lar 1 6 '2D 1H-31P CORR' . . . c17535_2lar 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 DA H1' H 1 6.259 0.002 34 . . . . . 1 A H1' . c17535_2lar 1 2 . 1 1 1 1 DA H2 H 1 8.039 0.002 14 1 . . . . 1 A H2 . c17535_2lar 1 3 . 1 1 1 1 DA H2' H 1 2.726 0.006 20 . . . . . 1 A H2' . c17535_2lar 1 4 . 1 1 1 1 DA H2'' H 1 2.843 0.003 20 2 . . . . 1 A H2'' . c17535_2lar 1 5 . 1 1 1 1 DA H3' H 1 4.874 0.002 32 . . . . . 1 A H3' . c17535_2lar 1 6 . 1 1 1 1 DA H4' H 1 4.277 0.001 16 . . . . . 1 A H4' . c17535_2lar 1 7 . 1 1 1 1 DA H8 H 1 8.245 0.001 32 1 . . . . 1 A H8 . c17535_2lar 1 8 . 1 1 1 1 DA C1' C 13 87.8 . . . . . . . 1 A C1' . c17535_2lar 1 9 . 1 1 1 1 DA C8 C 13 142.4 . . 1 . . . . 1 A C8 . c17535_2lar 1 10 . 1 1 2 2 DT H1' H 1 6.087 0.002 32 . . . . . 2 T H1' . c17535_2lar 1 11 . 1 1 2 2 DT H2' H 1 2.400 0.002 20 . . . . . 2 T H2' . c17535_2lar 1 12 . 1 1 2 2 DT H2'' H 1 2.631 0.002 16 2 . . . . 2 T H2'' . c17535_2lar 1 13 . 1 1 2 2 DT H3 H 1 13.766 . . 1 . . . . 2 T H3 . c17535_2lar 1 14 . 1 1 2 2 DT H3' H 1 4.928 0.002 24 . . . . . 2 T H3' . c17535_2lar 1 15 . 1 1 2 2 DT H4' H 1 4.334 0.002 12 . . . . . 2 T H4' . c17535_2lar 1 16 . 1 1 2 2 DT H6 H 1 7.489 0.003 56 1 . . . . 2 T H6 . c17535_2lar 1 17 . 1 1 2 2 DT H71 H 1 1.489 0.001 44 1 . . . . 2 T H7 . c17535_2lar 1 18 . 1 1 2 2 DT H72 H 1 1.489 0.001 44 1 . . . . 2 T H7 . c17535_2lar 1 19 . 1 1 2 2 DT H73 H 1 1.489 0.001 44 1 . . . . 2 T H7 . c17535_2lar 1 20 . 1 1 2 2 DT C1' C 13 86.2 . . . . . . . 2 T C1' . c17535_2lar 1 21 . 1 1 2 2 DT C6 C 13 138.8 . . 1 . . . . 2 T C6 . c17535_2lar 1 22 . 1 1 2 2 DT P P 31 -0.513 . . 1 . . . . 2 T P . c17535_2lar 1 23 . 1 1 3 3 DG H1 H 1 12.334 . . 1 . . . . 3 G H1 . c17535_2lar 1 24 . 1 1 3 3 DG H1' H 1 5.989 0.002 20 . . . . . 3 G H1' . c17535_2lar 1 25 . 1 1 3 3 DG H2' H 1 2.717 0.001 30 . . . . . 3 G H2' . c17535_2lar 1 26 . 1 1 3 3 DG H2'' H 1 2.717 0.001 30 2 . . . . 3 G H2'' . c17535_2lar 1 27 . 1 1 3 3 DG H3' H 1 4.878 0.002 20 . . . . . 3 G H3' . c17535_2lar 1 28 . 1 1 3 3 DG H4' H 1 4.409 0.001 16 . . . . . 3 G H4' . c17535_2lar 1 29 . 1 1 3 3 DG H8 H 1 7.758 0.003 44 1 . . . . 3 G H8 . c17535_2lar 1 30 . 1 1 3 3 DG C1' C 13 85.1 . . . . . . . 3 G C1' . c17535_2lar 1 31 . 1 1 3 3 DG C8 C 13 137.7 . . 1 . . . . 3 G C8 . c17535_2lar 1 32 . 1 1 3 3 DG P P 31 -0.292 . . 1 . . . . 3 G P . c17535_2lar 1 33 . 1 1 4 4 DG H1 H 1 13.078 . . 1 . . . . 4 G H1 . c17535_2lar 1 34 . 1 1 4 4 DG H1' H 1 6.010 0.002 28 . . . . . 4 G H1' . c17535_2lar 1 35 . 1 1 4 4 DG H2' H 1 2.536 0.002 20 . . . . . 4 G H2' . c17535_2lar 1 36 . 1 1 4 4 DG H2'' H 1 2.727 0.002 20 2 . . . . 4 G H2'' . c17535_2lar 1 37 . 1 1 4 4 DG H3' H 1 4.711 0.001 28 . . . . . 4 G H3' . c17535_2lar 1 38 . 1 1 4 4 DG H4' H 1 4.374 0.002 17 . . . . . 4 G H4' . c17535_2lar 1 39 . 1 1 4 4 DG H8 H 1 7.326 0.002 52 1 . . . . 4 G H8 . c17535_2lar 1 40 . 1 1 4 4 DG C1' C 13 86.3 . . . . . . . 4 G C1' . c17535_2lar 1 41 . 1 1 4 4 DG C8 C 13 136.5 . . 1 . . . . 4 G C8 . c17535_2lar 1 42 . 1 1 4 4 DG P P 31 -0.111 . . 1 . . . . 4 G P . c17535_2lar 1 43 . 1 1 5 5 DT H1' H 1 6.002 0.002 28 . . . . . 5 T H1' . c17535_2lar 1 44 . 1 1 5 5 DT H2' H 1 2.491 0.002 16 . . . . . 5 T H2' . c17535_2lar 1 45 . 1 1 5 5 DT H2'' H 1 2.570 0.002 16 2 . . . . 5 T H2'' . c17535_2lar 1 46 . 1 1 5 5 DT H3 H 1 13.708 . . 1 . . . . 5 T H3 . c17535_2lar 1 47 . 1 1 5 5 DT H3' H 1 4.984 0.003 32 . . . . . 5 T H3' . c17535_2lar 1 48 . 1 1 5 5 DT H4' H 1 4.253 0.004 12 . . . . . 5 T H4' . c17535_2lar 1 49 . 1 1 5 5 DT H6 H 1 7.428 0.002 51 1 . . . . 5 T H6 . c17535_2lar 1 50 . 1 1 5 5 DT H71 H 1 1.265 0.001 44 1 . . . . 5 T H7 . c17535_2lar 1 51 . 1 1 5 5 DT H72 H 1 1.265 0.001 44 1 . . . . 5 T H7 . c17535_2lar 1 52 . 1 1 5 5 DT H73 H 1 1.265 0.001 44 1 . . . . 5 T H7 . c17535_2lar 1 53 . 1 1 5 5 DT C1' C 13 86.5 . . . . . . . 5 T C1' . c17535_2lar 1 54 . 1 1 5 5 DT C6 C 13 138.1 . . 1 . . . . 5 T C6 . c17535_2lar 1 55 . 1 1 5 5 DT P P 31 -0.749 . . 1 . . . . 5 T P . c17535_2lar 1 56 . 1 1 6 6 BGR BP B 11 -41.43 . . . . . . . 6 X BP . c17535_2lar 1 57 . 1 1 6 6 BGR C1' C 13 85.8 . . . . . . . 6 X C1' . c17535_2lar 1 58 . 1 1 6 6 BGR C8 C 13 137.3 . . . . . . . 6 X C8 . c17535_2lar 1 59 . 1 1 6 6 BGR H1 H 1 12.458 . . . . . . . 6 X H1 . c17535_2lar 1 60 . 1 1 6 6 BGR H1' H 1 5.984 0.002 24 . . . . . 6 X H1' . c17535_2lar 1 61 . 1 1 6 6 BGR H2' H 1 2.634 0.001 24 . . . . . 6 X H2' . c17535_2lar 1 62 . 1 1 6 6 BGR H2'' H 1 2.634 0.001 24 . . . . . 6 X H2'' . c17535_2lar 1 63 . 1 1 6 6 BGR H3' H 1 4.720 0.003 26 . . . . . 6 X H3' . c17535_2lar 1 64 . 1 1 6 6 BGR H4' H 1 4.349 0.002 14 . . . . . 6 X H4' . c17535_2lar 1 65 . 1 1 6 6 BGR H8 H 1 7.677 0.002 52 . . . . . 6 X H8 . c17535_2lar 1 66 . 1 1 6 6 BGR H1BP H 1 0.33 . . . . . . . 6 X MB . c17535_2lar 1 67 . 1 1 6 6 BGR H2BP H 1 0.33 . . . . . . . 6 X MB . c17535_2lar 1 68 . 1 1 6 6 BGR H3BP H 1 0.33 . . . . . . . 6 X MB . c17535_2lar 1 69 . 1 1 6 6 BGR P P 31 94.00 . . . . . . . 6 X P . c17535_2lar 1 70 . 1 1 7 7 DC H1' H 1 5.878 0.001 36 . . . . . 7 C H1' . c17535_2lar 1 71 . 1 1 7 7 DC H2' H 1 2.320 0.002 20 . . . . . 7 C H2' . c17535_2lar 1 72 . 1 1 7 7 DC H2'' H 1 2.579 0.004 20 2 . . . . 7 C H2'' . c17535_2lar 1 73 . 1 1 7 7 DC H3' H 1 4.600 0.002 28 . . . . . 7 C H3' . c17535_2lar 1 74 . 1 1 7 7 DC H4' H 1 4.260 0.003 15 . . . . . 7 C H4' . c17535_2lar 1 75 . 1 1 7 7 DC H5 H 1 5.146 0.002 29 1 . . . . 7 C H5 . c17535_2lar 1 76 . 1 1 7 7 DC H6 H 1 7.419 0.003 46 1 . . . . 7 C H6 . c17535_2lar 1 77 . 1 1 7 7 DC C1' C 13 87.8 . . . . . . . 7 C C1' . c17535_2lar 1 78 . 1 1 7 7 DC C6 C 13 141.8 . . 1 . . . . 7 C C6 . c17535_2lar 1 79 . 1 1 7 7 DC P P 31 -0.323 . . 1 . . . . 7 C P . c17535_2lar 1 80 . 1 1 8 8 DT H1' H 1 6.094 0.002 34 . . . . . 8 T H1' . c17535_2lar 1 81 . 1 1 8 8 DT H2' H 1 2.314 0.002 23 . . . . . 8 T H2' . c17535_2lar 1 82 . 1 1 8 8 DT H2'' H 1 2.614 0.001 19 2 . . . . 8 T H2'' . c17535_2lar 1 83 . 1 1 8 8 DT H3 H 1 14.03 . . 1 . . . . 8 T H3 . c17535_2lar 1 84 . 1 1 8 8 DT H3' H 1 4.844 0.002 26 . . . . . 8 T H3' . c17535_2lar 1 85 . 1 1 8 8 DT H4' H 1 4.228 0.001 12 . . . . . 8 T H4' . c17535_2lar 1 86 . 1 1 8 8 DT H6 H 1 7.639 0.001 50 1 . . . . 8 T H6 . c17535_2lar 1 87 . 1 1 8 8 DT H71 H 1 1.503 0.002 44 1 . . . . 8 T H7 . c17535_2lar 1 88 . 1 1 8 8 DT H72 H 1 1.503 0.002 44 1 . . . . 8 T H7 . c17535_2lar 1 89 . 1 1 8 8 DT H73 H 1 1.503 0.002 44 1 . . . . 8 T H7 . c17535_2lar 1 90 . 1 1 8 8 DT C1' C 13 86.7 . . . . . . . 8 T C1' . c17535_2lar 1 91 . 1 1 8 8 DT C6 C 13 139.4 . . 1 . . . . 8 T C6 . c17535_2lar 1 92 . 1 1 8 8 DT P P 31 -0.942 . . 1 . . . . 8 T P . c17535_2lar 1 93 . 1 1 9 9 DC H1' H 1 6.269 0.001 28 . . . . . 9 C H1' . c17535_2lar 1 94 . 1 1 9 9 DC H2' H 1 2.174 0.002 19 . . . . . 9 C H2' . c17535_2lar 1 95 . 1 1 9 9 DC H2'' H 1 2.258 0.003 16 2 . . . . 9 C H2'' . c17535_2lar 1 96 . 1 1 9 9 DC H3' H 1 4.529 0.002 19 . . . . . 9 C H3' . c17535_2lar 1 97 . 1 1 9 9 DC H4' H 1 4.044 0.001 16 . . . . . 9 C H4' . c17535_2lar 1 98 . 1 1 9 9 DC H5 H 1 5.629 0.003 32 1 . . . . 9 C H5 . c17535_2lar 1 99 . 1 1 9 9 DC H6 H 1 7.619 0.002 36 1 . . . . 9 C H6 . c17535_2lar 1 100 . 1 1 9 9 DC C1' C 13 86.7 . . . . . . . 9 C C1' . c17535_2lar 1 101 . 1 1 9 9 DC C6 C 13 143.9 . . 1 . . . . 9 C C6 . c17535_2lar 1 102 . 1 1 9 9 DC P P 31 -0.446 . . 1 . . . . 9 C P . c17535_2lar 1 103 . 2 2 1 1 G H1 H 1 12.488 . . 1 . . . B 10 G H1 . c17535_2lar 1 104 . 2 2 1 1 G H1' H 1 5.633 0.002 34 . . . . B 10 G H1' . c17535_2lar 1 105 . 2 2 1 1 G H2' H 1 4.824 0.003 18 . . . . B 10 G H2' . c17535_2lar 1 106 . 2 2 1 1 G H3' H 1 4.625 0.002 16 . . . . B 10 G H3' . c17535_2lar 1 107 . 2 2 1 1 G H4' H 1 4.342 0.001 8 . . . . B 10 G H4' . c17535_2lar 1 108 . 2 2 1 1 G H8 H 1 7.972 0.001 24 1 . . . B 10 G H8 . c17535_2lar 1 109 . 2 2 1 1 G C1' C 13 91.8 . . . . . . B 10 G C1' . c17535_2lar 1 110 . 2 2 1 1 G C8 C 13 138.8 . . 1 . . . B 10 G C8 . c17535_2lar 1 111 . 2 2 2 2 A H1' H 1 6.038 0.002 26 . . . . B 11 A H1' . c17535_2lar 1 112 . 2 2 2 2 A H2 H 1 7.735 0.002 14 1 . . . B 11 A H2 . c17535_2lar 1 113 . 2 2 2 2 A H2' H 1 4.814 0.001 16 . . . . B 11 A H2' . c17535_2lar 1 114 . 2 2 2 2 A H3' H 1 4.748 0.003 12 . . . . B 11 A H3' . c17535_2lar 1 115 . 2 2 2 2 A H4' H 1 4.552 0.001 4 . . . . B 11 A H4' . c17535_2lar 1 116 . 2 2 2 2 A H8 H 1 8.065 0.001 36 1 . . . B 11 A H8 . c17535_2lar 1 117 . 2 2 2 2 A C1' C 13 92.5 . . . . . . B 11 A C1' . c17535_2lar 1 118 . 2 2 2 2 A C8 C 13 140 . . 1 . . . B 11 A C8 . c17535_2lar 1 119 . 2 2 2 2 A P P 31 -0.119 . . 1 . . . B 11 A P . c17535_2lar 1 120 . 2 2 3 3 G H1 H 1 13.294 . . 1 . . . B 12 G H1 . c17535_2lar 1 121 . 2 2 3 3 G H1' H 1 5.581 0.001 36 . . . . B 12 G H1' . c17535_2lar 1 122 . 2 2 3 3 G H2' H 1 4.449 0.005 24 . . . . B 12 G H2' . c17535_2lar 1 123 . 2 2 3 3 G H3' H 1 4.415 0.003 12 . . . . B 12 G H3' . c17535_2lar 1 124 . 2 2 3 3 G H4' H 1 4.485 0.003 8 . . . . B 12 G H4' . c17535_2lar 1 125 . 2 2 3 3 G H8 H 1 7.282 0.002 44 1 . . . B 12 G H8 . c17535_2lar 1 126 . 2 2 3 3 G C1' C 13 92.7 . . . . . . B 12 G C1' . c17535_2lar 1 127 . 2 2 3 3 G C8 C 13 135.8 . . 1 . . . B 12 G C8 . c17535_2lar 1 128 . 2 2 3 3 G P P 31 -0.23 . . 1 . . . B 12 G P . c17535_2lar 1 129 . 2 2 4 4 C H1' H 1 5.420 0.001 32 . . . . B 13 C H1' . c17535_2lar 1 130 . 2 2 4 4 C H2' H 1 4.518 0.002 20 . . . . B 13 C H2' . c17535_2lar 1 131 . 2 2 4 4 C H3' H 1 4.495 0.001 16 . . . . B 13 C H3' . c17535_2lar 1 132 . 2 2 4 4 C H4' H 1 4.417 0.000 8 . . . . B 13 C H4' . c17535_2lar 1 133 . 2 2 4 4 C H5 H 1 5.218 0.004 28 1 . . . B 13 C H5 . c17535_2lar 1 134 . 2 2 4 4 C H6 H 1 7.602 0.004 40 1 . . . B 13 C H6 . c17535_2lar 1 135 . 2 2 4 4 C C1' C 13 93.7 . . . . . . B 13 C C1' . c17535_2lar 1 136 . 2 2 4 4 C C6 C 13 140.5 . . 1 . . . B 13 C C6 . c17535_2lar 1 137 . 2 2 4 4 C P P 31 -0.71 . . 1 . . . B 13 C P . c17535_2lar 1 138 . 2 2 5 5 A H1' H 1 5.920 0.001 42 . . . . B 14 A H1' . c17535_2lar 1 139 . 2 2 5 5 A H2 H 1 7.433 0.003 16 1 . . . B 14 A H2 . c17535_2lar 1 140 . 2 2 5 5 A H2' H 1 4.564 0.002 20 . . . . B 14 A H2' . c17535_2lar 1 141 . 2 2 5 5 A H3' H 1 4.664 0.001 16 . . . . B 14 A H3' . c17535_2lar 1 142 . 2 2 5 5 A H4' H 1 4.480 0.004 4 . . . . B 14 A H4' . c17535_2lar 1 143 . 2 2 5 5 A H8 H 1 8.073 0.001 40 1 . . . B 14 A H8 . c17535_2lar 1 144 . 2 2 5 5 A C1' C 13 92.9 . . . . . . B 14 A C1' . c17535_2lar 1 145 . 2 2 5 5 A C8 C 13 139.3 . . 1 . . . B 14 A C8 . c17535_2lar 1 146 . 2 2 5 5 A P P 31 -0.377 . . 1 . . . B 14 A P . c17535_2lar 1 147 . 2 2 6 6 C H1' H 1 5.339 0.002 32 . . . . B 15 C H1' . c17535_2lar 1 148 . 2 2 6 6 C H2' H 1 4.265 0.002 16 . . . . B 15 C H2' . c17535_2lar 1 149 . 2 2 6 6 C H3' H 1 4.341 0.006 19 . . . . B 15 C H3' . c17535_2lar 1 150 . 2 2 6 6 C H4' H 1 4.564 0.002 8 . . . . B 15 C H4' . c17535_2lar 1 151 . 2 2 6 6 C H5 H 1 5.241 0.003 25 1 . . . B 15 C H5 . c17535_2lar 1 152 . 2 2 6 6 C H6 H 1 7.505 0.003 44 1 . . . B 15 C H6 . c17535_2lar 1 153 . 2 2 6 6 C C1' C 13 93.7 . . . . . . B 15 C C1' . c17535_2lar 1 154 . 2 2 6 6 C C6 C 13 140.6 . . 1 . . . B 15 C C6 . c17535_2lar 1 155 . 2 2 6 6 C P P 31 -0.613 . . 1 . . . B 15 C P . c17535_2lar 1 156 . 2 2 7 7 C H1' H 1 5.405 0.002 28 . . . . B 16 C H1' . c17535_2lar 1 157 . 2 2 7 7 C H2' H 1 4.358 0.001 14 . . . . B 16 C H2' . c17535_2lar 1 158 . 2 2 7 7 C H3' H 1 4.538 0.004 16 . . . . B 16 C H3' . c17535_2lar 1 159 . 2 2 7 7 C H4' H 1 4.262 0.002 12 . . . . B 16 C H4' . c17535_2lar 1 160 . 2 2 7 7 C H5 H 1 5.504 0.002 30 1 . . . B 16 C H5 . c17535_2lar 1 161 . 2 2 7 7 C H6 H 1 7.740 0.002 42 1 . . . B 16 C H6 . c17535_2lar 1 162 . 2 2 7 7 C C1' C 13 94.8 . . . . . . B 16 C C1' . c17535_2lar 1 163 . 2 2 7 7 C C6 C 13 141.1 . . 1 . . . B 16 C C6 . c17535_2lar 1 164 . 2 2 7 7 C P P 31 -0.677 . . 1 . . . B 16 C P . c17535_2lar 1 165 . 2 2 8 8 A H1' H 1 5.995 0.002 28 . . . . B 17 A H1' . c17535_2lar 1 166 . 2 2 8 8 A H2 H 1 7.625 0.001 8 1 . . . B 17 A H2 . c17535_2lar 1 167 . 2 2 8 8 A H2' H 1 4.376 0.001 26 . . . . B 17 A H2' . c17535_2lar 1 168 . 2 2 8 8 A H3' H 1 4.717 0.002 18 . . . . B 17 A H3' . c17535_2lar 1 169 . 2 2 8 8 A H4' H 1 4.468 0.003 9 . . . . B 17 A H4' . c17535_2lar 1 170 . 2 2 8 8 A H8 H 1 8.182 0.001 41 1 . . . B 17 A H8 . c17535_2lar 1 171 . 2 2 8 8 A C1' C 13 92.4 . . . . . . B 17 A C1' . c17535_2lar 1 172 . 2 2 8 8 A C8 C 13 140 . . 1 . . . B 17 A C8 . c17535_2lar 1 173 . 2 2 8 8 A P P 31 -0.503 . . 1 . . . B 17 A P . c17535_2lar 1 174 . 2 2 9 9 U H1' H 1 5.758 0.001 23 . . . . B 18 U H1' . c17535_2lar 1 175 . 2 2 9 9 U H2' H 1 4.041 0.002 8 . . . . B 18 U H2' . c17535_2lar 1 176 . 2 2 9 9 U H3 H 1 13.425 . . 1 . . . B 18 U H3 . c17535_2lar 1 177 . 2 2 9 9 U H3' H 1 4.177 0.002 12 . . . . B 18 U H3' . c17535_2lar 1 178 . 2 2 9 9 U H4' H 1 4.378 0.001 8 . . . . B 18 U H4' . c17535_2lar 1 179 . 2 2 9 9 U H5 H 1 5.352 0.004 20 1 . . . B 18 U H5 . c17535_2lar 1 180 . 2 2 9 9 U H6 H 1 7.579 0.002 34 1 . . . B 18 U H6 . c17535_2lar 1 181 . 2 2 9 9 U C1' C 13 91.6 . . . . . . B 18 U C1' . c17535_2lar 1 182 . 2 2 9 9 U C6 C 13 142.5 . . 1 . . . B 18 U C6 . c17535_2lar 1 183 . 2 2 9 9 U P P 31 -0.438 . . 1 . . . B 18 U P . c17535_2lar 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c17535_2lar _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c17535_2lar _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c17535_2lar 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c17535_2lar 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 DA C1' C 35.250 19.553 22.092 . . . 1.0 . . . . . . . . . . . . A . 1 DA C1' . . . . . . . . . c17535_2lar 1 . 1 . 2 . 1 1 1 DA C2 C 34.517 23.281 24.411 . . . 1.0 . . . . . . . . . . . . A . 1 DA C2 . . . . . . . . . c17535_2lar 1 . 1 . 3 . 1 1 1 DA C2' C 33.989 18.831 22.589 . . . 1.0 . . . . . . . . . . . . A . 1 DA C2' . . . . . . . . . c17535_2lar 1 . 1 . 4 . 1 1 1 DA C3' C 34.065 17.421 21.990 . . . 1.0 . . . . . . . . . . . . A . 1 DA C3' . . . . . . . . . c17535_2lar 1 . 1 . 5 . 1 1 1 DA C4 C 34.619 22.001 22.602 . . . 1.0 . . . . . . . . . . . . A . 1 DA C4 . . . . . . . . . c17535_2lar 1 . 1 . 6 . 1 1 1 DA C4' C 35.098 17.582 20.863 . . . 1.0 . . . . . . . . . . . . A . 1 DA C4' . . . . . . . . . c17535_2lar 1 . 1 . 7 . 1 1 1 DA C5 C 33.977 22.923 21.810 . . . 1.0 . . . . . . . . . . . . A . 1 DA C5 . . . . . . . . . c17535_2lar 1 . 1 . 8 . 1 1 1 DA C5' C 34.504 17.402 19.453 . . . 1.0 . . . . . . . . . . . . A . 1 DA C5' . . . . . . . . . c17535_2lar 1 . 1 . 9 . 1 1 1 DA C6 C 33.586 24.095 22.503 . . . 1.0 . . . . . . . . . . . . A . 1 DA C6 . . . . . . . . . c17535_2lar 1 . 1 . 10 . 1 1 1 DA C8 C 34.385 21.277 20.579 . . . 1.0 . . . . . . . . . . . . A . 1 DA C8 . . . . . . . . . c17535_2lar 1 . 1 . 11 . 1 1 1 DA H1' H 36.048 19.564 22.812 . . . 1.0 . . . . . . . . . . . . A . 1 DA H1' . . . . . . . . . c17535_2lar 1 . 1 . 12 . 1 1 1 DA H2 H 34.848 23.500 25.408 . . . 1.0 . . . . . . . . . . . . A . 1 DA H2 . . . . . . . . . c17535_2lar 1 . 1 . 13 . 1 1 1 DA H2' H 33.051 19.290 22.216 . . . 1.0 . . . . . . . . . . . . A . 1 DA H2' . . . . . . . . . c17535_2lar 1 . 1 . 14 . 1 1 1 DA H2'' H 34.035 18.841 23.689 . . . 1.0 . . . . . . . . . . . . A . 1 DA H2'' . . . . . . . . . c17535_2lar 1 . 1 . 15 . 1 1 1 DA H3' H 33.111 17.095 21.540 . . . 1.0 . . . . . . . . . . . . A . 1 DA H3' . . . . . . . . . c17535_2lar 1 . 1 . 16 . 1 1 1 DA H4' H 35.868 16.821 20.997 . . . 1.0 . . . . . . . . . . . . A . 1 DA H4' . . . . . . . . . c17535_2lar 1 . 1 . 17 . 1 1 1 DA H5' H 35.310 17.534 18.729 . . . 1.0 . . . . . . . . . . . . A . 1 DA H5' . . . . . . . . . c17535_2lar 1 . 1 . 18 . 1 1 1 DA H5'' H 34.141 16.378 19.368 . . . 1.0 . . . . . . . . . . . . A . 1 DA H5'' . . . . . . . . . c17535_2lar 1 . 1 . 19 . 1 1 1 DA H61 H 32.724 25.922 22.518 . . . 1.0 . . . . . . . . . . . . A . 1 DA H61 . . . . . . . . . c17535_2lar 1 . 1 . 20 . 1 1 1 DA H62 H 32.661 25.047 20.990 . . . 1.0 . . . . . . . . . . . . A . 1 DA H62 . . . . . . . . . c17535_2lar 1 . 1 . 21 . 1 1 1 DA H8 H 34.474 20.490 19.864 . . . 1.0 . . . . . . . . . . . . A . 1 DA H8 . . . . . . . . . c17535_2lar 1 . 1 . 22 . 1 1 1 DA HO5' H 33.404 18.361 18.150 . . . 1.0 . . . . . . . . . . . . A . 1 DA HO5' . . . . . . . . . c17535_2lar 1 . 1 . 23 . 1 1 1 DA N1 N 33.874 24.257 23.790 . . . 1.0 . . . . . . . . . . . . A . 1 DA N1 . . . . . . . . . c17535_2lar 1 . 1 . 24 . 1 1 1 DA N3 N 34.925 22.113 23.924 . . . 1.0 . . . . . . . . . . . . A . 1 DA N3 . . . . . . . . . c17535_2lar 1 . 1 . 25 . 1 1 1 DA N6 N 32.924 25.102 21.965 . . . 1.0 . . . . . . . . . . . . A . 1 DA N6 . . . . . . . . . c17535_2lar 1 . 1 . 26 . 1 1 1 DA N7 N 33.837 22.449 20.493 . . . 1.0 . . . . . . . . . . . . A . 1 DA N7 . . . . . . . . . c17535_2lar 1 . 1 . 27 . 1 1 1 DA N9 N 34.872 20.933 21.784 . . . 1.0 . . . . . . . . . . . . A . 1 DA N9 . . . . . . . . . c17535_2lar 1 . 1 . 28 . 1 1 1 DA O3' O 34.518 16.484 22.964 . . . 1.0 . . . . . . . . . . . . A . 1 DA O3' . . . . . . . . . c17535_2lar 1 . 1 . 29 . 1 1 1 DA O4' O 35.714 18.861 20.941 . . . 1.0 . . . . . . . . . . . . A . 1 DA O4' . . . . . . . . . c17535_2lar 1 . 1 . 30 . 1 1 1 DA O5' O 33.439 18.297 19.130 . . . 1.0 . . . . . . . . . . . . A . 1 DA O5' . . . . . . . . . c17535_2lar 1 . 1 . 31 . 1 1 2 DT C1' C 32.550 20.011 27.177 . . . 1.0 . . . . . . . . . . . . A . 2 DT C1' . . . . . . . . . c17535_2lar 1 . 1 . 32 . 1 1 2 DT C2 C 31.971 22.376 26.627 . . . 1.0 . . . . . . . . . . . . A . 2 DT C2 . . . . . . . . . c17535_2lar 1 . 1 . 33 . 1 1 2 DT C2' C 31.628 18.819 27.445 . . . 1.0 . . . . . . . . . . . . A . 2 DT C2' . . . . . . . . . c17535_2lar 1 . 1 . 34 . 1 1 2 DT C3' C 32.623 17.742 27.937 . . . 1.0 . . . . . . . . . . . . A . 2 DT C3' . . . . . . . . . c17535_2lar 1 . 1 . 35 . 1 1 2 DT C4 C 30.804 22.896 24.535 . . . 1.0 . . . . . . . . . . . . A . 2 DT C4 . . . . . . . . . c17535_2lar 1 . 1 . 36 . 1 1 2 DT C4' C 33.915 18.172 27.217 . . . 1.0 . . . . . . . . . . . . A . 2 DT C4' . . . . . . . . . c17535_2lar 1 . 1 . 37 . 1 1 2 DT C5 C 30.999 21.500 24.153 . . . 1.0 . . . . . . . . . . . . A . 2 DT C5 . . . . . . . . . c17535_2lar 1 . 1 . 38 . 1 1 2 DT C5' C 34.386 17.146 26.169 . . . 1.0 . . . . . . . . . . . . A . 2 DT C5' . . . . . . . . . c17535_2lar 1 . 1 . 39 . 1 1 2 DT C6 C 31.522 20.618 25.040 . . . 1.0 . . . . . . . . . . . . A . 2 DT C6 . . . . . . . . . c17535_2lar 1 . 1 . 40 . 1 1 2 DT C7 C 30.684 21.033 22.747 . . . 1.0 . . . . . . . . . . . . A . 2 DT C7 . . . . . . . . . c17535_2lar 1 . 1 . 41 . 1 1 2 DT H1' H 32.937 20.530 28.045 . . . 1.0 . . . . . . . . . . . . A . 2 DT H1' . . . . . . . . . c17535_2lar 1 . 1 . 42 . 1 1 2 DT H2' H 31.200 18.466 26.504 . . . 1.0 . . . . . . . . . . . . A . 2 DT H2' . . . . . . . . . c17535_2lar 1 . 1 . 43 . 1 1 2 DT H2'' H 30.797 19.106 28.096 . . . 1.0 . . . . . . . . . . . . A . 2 DT H2'' . . . . . . . . . c17535_2lar 1 . 1 . 44 . 1 1 2 DT H3 H 31.255 24.194 26.058 . . . 1.0 . . . . . . . . . . . . A . 2 DT H3 . . . . . . . . . c17535_2lar 1 . 1 . 45 . 1 1 2 DT H3' H 32.363 16.740 27.601 . . . 1.0 . . . . . . . . . . . . A . 2 DT H3' . . . . . . . . . c17535_2lar 1 . 1 . 46 . 1 1 2 DT H4' H 34.700 18.281 27.964 . . . 1.0 . . . . . . . . . . . . A . 2 DT H4' . . . . . . . . . c17535_2lar 1 . 1 . 47 . 1 1 2 DT H5' H 35.252 17.552 25.643 . . . 1.0 . . . . . . . . . . . . A . 2 DT H5' . . . . . . . . . c17535_2lar 1 . 1 . 48 . 1 1 2 DT H5'' H 34.691 16.233 26.683 . . . 1.0 . . . . . . . . . . . . A . 2 DT H5'' . . . . . . . . . c17535_2lar 1 . 1 . 49 . 1 1 2 DT H6 H 31.722 19.593 24.785 . . . 1.0 . . . . . . . . . . . . A . 2 DT H6 . . . . . . . . . c17535_2lar 1 . 1 . 50 . 1 1 2 DT H71 H 31.341 21.563 22.057 . . . 1.0 . . . . . . . . . . . . A . 2 DT H71 . . . . . . . . . c17535_2lar 1 . 1 . 51 . 1 1 2 DT H72 H 30.846 19.959 22.644 . . . 1.0 . . . . . . . . . . . . A . 2 DT H72 . . . . . . . . . c17535_2lar 1 . 1 . 52 . 1 1 2 DT H73 H 29.650 21.272 22.505 . . . 1.0 . . . . . . . . . . . . A . 2 DT H73 . . . . . . . . . c17535_2lar 1 . 1 . 53 . 1 1 2 DT N1 N 31.962 21.022 26.270 . . . 1.0 . . . . . . . . . . . . A . 2 DT N1 . . . . . . . . . c17535_2lar 1 . 1 . 54 . 1 1 2 DT N3 N 31.324 23.230 25.766 . . . 1.0 . . . . . . . . . . . . A . 2 DT N3 . . . . . . . . . c17535_2lar 1 . 1 . 55 . 1 1 2 DT O2 O 32.544 22.835 27.621 . . . 1.0 . . . . . . . . . . . . A . 2 DT O2 . . . . . . . . . c17535_2lar 1 . 1 . 56 . 1 1 2 DT O3' O 32.763 17.684 29.351 . . . 1.0 . . . . . . . . . . . . A . 2 DT O3' . . . . . . . . . c17535_2lar 1 . 1 . 57 . 1 1 2 DT O4 O 30.248 23.765 23.864 . . . 1.0 . . . . . . . . . . . . A . 2 DT O4 . . . . . . . . . c17535_2lar 1 . 1 . 58 . 1 1 2 DT O4' O 33.676 19.416 26.570 . . . 1.0 . . . . . . . . . . . . A . 2 DT O4' . . . . . . . . . c17535_2lar 1 . 1 . 59 . 1 1 2 DT O5' O 33.348 16.847 25.239 . . . 1.0 . . . . . . . . . . . . A . 2 DT O5' . . . . . . . . . c17535_2lar 1 . 1 . 60 . 1 1 2 DT OP1 O 34.221 14.602 24.554 . . . 1.0 . . . . . . . . . . . . A . 2 DT OP1 . . . . . . . . . c17535_2lar 1 . 1 . 61 . 1 1 2 DT OP2 O 32.199 15.642 23.434 . . . 1.0 . . . . . . . . . . . . A . 2 DT OP2 . . . . . . . . . c17535_2lar 1 . 1 . 62 . 1 1 2 DT P P 33.537 15.811 24.043 . . . 1.0 . . . . . . . . . . . . A . 2 DT P . . . . . . . . . c17535_2lar 1 . 1 . 63 . 1 1 3 DG C1' C 29.899 21.432 32.357 . . . 1.0 . . . . . . . . . . . . A . 3 DG C1' . . . . . . . . . c17535_2lar 1 . 1 . 64 . 1 1 3 DG C2 C 28.546 25.236 30.424 . . . 1.0 . . . . . . . . . . . . A . 3 DG C2 . . . . . . . . . c17535_2lar 1 . 1 . 65 . 1 1 3 DG C2' C 28.688 20.539 32.649 . . . 1.0 . . . . . . . . . . . . A . 3 DG C2' . . . . . . . . . c17535_2lar 1 . 1 . 66 . 1 1 3 DG C3' C 29.237 19.228 33.206 . . . 1.0 . . . . . . . . . . . . A . 3 DG C3' . . . . . . . . . c17535_2lar 1 . 1 . 67 . 1 1 3 DG C4 C 29.400 23.147 30.495 . . . 1.0 . . . . . . . . . . . . A . 3 DG C4 . . . . . . . . . c17535_2lar 1 . 1 . 68 . 1 1 3 DG C4' C 30.755 19.455 33.142 . . . 1.0 . . . . . . . . . . . . A . 3 DG C4' . . . . . . . . . c17535_2lar 1 . 1 . 69 . 1 1 3 DG C5 C 29.372 22.991 29.123 . . . 1.0 . . . . . . . . . . . . A . 3 DG C5 . . . . . . . . . c17535_2lar 1 . 1 . 70 . 1 1 3 DG C5' C 31.516 18.316 32.456 . . . 1.0 . . . . . . . . . . . . A . 3 DG C5' . . . . . . . . . c17535_2lar 1 . 1 . 71 . 1 1 3 DG C6 C 28.849 24.077 28.330 . . . 1.0 . . . . . . . . . . . . A . 3 DG C6 . . . . . . . . . c17535_2lar 1 . 1 . 72 . 1 1 3 DG C8 C 30.167 21.174 29.915 . . . 1.0 . . . . . . . . . . . . A . 3 DG C8 . . . . . . . . . c17535_2lar 1 . 1 . 73 . 1 1 3 DG H1 H 28.059 25.953 28.555 . . . 1.0 . . . . . . . . . . . . A . 3 DG H1 . . . . . . . . . c17535_2lar 1 . 1 . 74 . 1 1 3 DG H1' H 29.959 22.240 33.044 . . . 1.0 . . . . . . . . . . . . A . 3 DG H1' . . . . . . . . . c17535_2lar 1 . 1 . 75 . 1 1 3 DG H2' H 28.122 20.329 31.740 . . . 1.0 . . . . . . . . . . . . A . 3 DG H2' . . . . . . . . . c17535_2lar 1 . 1 . 76 . 1 1 3 DG H2'' H 28.049 21.038 33.370 . . . 1.0 . . . . . . . . . . . . A . 3 DG H2'' . . . . . . . . . c17535_2lar 1 . 1 . 77 . 1 1 3 DG H21 H 27.754 27.087 30.417 . . . 1.0 . . . . . . . . . . . . A . 3 DG H21 . . . . . . . . . c17535_2lar 1 . 1 . 78 . 1 1 3 DG H22 H 28.120 26.411 31.995 . . . 1.0 . . . . . . . . . . . . A . 3 DG H22 . . . . . . . . . c17535_2lar 1 . 1 . 79 . 1 1 3 DG H3' H 28.963 18.400 32.550 . . . 1.0 . . . . . . . . . . . . A . 3 DG H3' . . . . . . . . . c17535_2lar 1 . 1 . 80 . 1 1 3 DG H4' H 31.118 19.564 34.150 . . . 1.0 . . . . . . . . . . . . A . 3 DG H4' . . . . . . . . . c17535_2lar 1 . 1 . 81 . 1 1 3 DG H5' H 32.567 18.596 32.376 . . . 1.0 . . . . . . . . . . . . A . 3 DG H5' . . . . . . . . . c17535_2lar 1 . 1 . 82 . 1 1 3 DG H5'' H 31.439 17.429 33.087 . . . 1.0 . . . . . . . . . . . . A . 3 DG H5'' . . . . . . . . . c17535_2lar 1 . 1 . 83 . 1 1 3 DG H8 H 30.487 20.151 30.106 . . . 1.0 . . . . . . . . . . . . A . 3 DG H8 . . . . . . . . . c17535_2lar 1 . 1 . 84 . 1 1 3 DG N1 N 28.460 25.175 29.071 . . . 1.0 . . . . . . . . . . . . A . 3 DG N1 . . . . . . . . . c17535_2lar 1 . 1 . 85 . 1 1 3 DG N2 N 28.128 26.336 30.989 . . . 1.0 . . . . . . . . . . . . A . 3 DG N2 . . . . . . . . . c17535_2lar 1 . 1 . 86 . 1 1 3 DG N3 N 29.013 24.256 31.210 . . . 1.0 . . . . . . . . . . . . A . 3 DG N3 . . . . . . . . . c17535_2lar 1 . 1 . 87 . 1 1 3 DG N7 N 29.852 21.716 28.767 . . . 1.0 . . . . . . . . . . . . A . 3 DG N7 . . . . . . . . . c17535_2lar 1 . 1 . 88 . 1 1 3 DG N9 N 29.871 21.944 30.986 . . . 1.0 . . . . . . . . . . . . A . 3 DG N9 . . . . . . . . . c17535_2lar 1 . 1 . 89 . 1 1 3 DG O3' O 28.784 18.981 34.541 . . . 1.0 . . . . . . . . . . . . A . 3 DG O3' . . . . . . . . . c17535_2lar 1 . 1 . 90 . 1 1 3 DG O4' O 31.069 20.671 32.505 . . . 1.0 . . . . . . . . . . . . A . 3 DG O4' . . . . . . . . . c17535_2lar 1 . 1 . 91 . 1 1 3 DG O5' O 30.994 18.015 31.164 . . . 1.0 . . . . . . . . . . . . A . 3 DG O5' . . . . . . . . . c17535_2lar 1 . 1 . 92 . 1 1 3 DG O6 O 28.680 24.147 27.112 . . . 1.0 . . . . . . . . . . . . A . 3 DG O6 . . . . . . . . . c17535_2lar 1 . 1 . 93 . 1 1 3 DG OP1 O 32.423 15.973 31.098 . . . 1.0 . . . . . . . . . . . . A . 3 DG OP1 . . . . . . . . . c17535_2lar 1 . 1 . 94 . 1 1 3 DG OP2 O 30.631 16.359 29.332 . . . 1.0 . . . . . . . . . . . . A . 3 DG OP2 . . . . . . . . . c17535_2lar 1 . 1 . 95 . 1 1 3 DG P P 31.672 16.912 30.235 . . . 1.0 . . . . . . . . . . . . A . 3 DG P . . . . . . . . . c17535_2lar 1 . 1 . 96 . 1 1 4 DG C1' C 25.304 23.469 33.458 . . . 1.0 . . . . . . . . . . . . A . 4 DG C1' . . . . . . . . . c17535_2lar 1 . 1 . 97 . 1 1 4 DG C2 C 24.621 25.840 29.834 . . . 1.0 . . . . . . . . . . . . A . 4 DG C2 . . . . . . . . . c17535_2lar 1 . 1 . 98 . 1 1 4 DG C2' C 23.957 22.918 33.924 . . . 1.0 . . . . . . . . . . . . A . 4 DG C2' . . . . . . . . . c17535_2lar 1 . 1 . 99 . 1 1 4 DG C3' C 24.161 21.888 35.040 . . . 1.0 . . . . . . . . . . . . A . 4 DG C3' . . . . . . . . . c17535_2lar 1 . 1 . 100 . 1 1 4 DG C4 C 25.241 24.006 30.962 . . . 1.0 . . . . . . . . . . . . A . 4 DG C4 . . . . . . . . . c17535_2lar 1 . 1 . 101 . 1 1 4 DG C4' C 25.651 22.059 35.257 . . . 1.0 . . . . . . . . . . . . A . 4 DG C4' . . . . . . . . . c17535_2lar 1 . 1 . 102 . 1 1 4 DG C5 C 25.473 23.265 29.822 . . . 1.0 . . . . . . . . . . . . A . 4 DG C5 . . . . . . . . . c17535_2lar 1 . 1 . 103 . 1 1 4 DG C5' C 26.430 20.826 35.730 . . . 1.0 . . . . . . . . . . . . A . 4 DG C5' . . . . . . . . . c17535_2lar 1 . 1 . 104 . 1 1 4 DG C6 C 25.273 23.905 28.547 . . . 1.0 . . . . . . . . . . . . A . 4 DG C6 . . . . . . . . . c17535_2lar 1 . 1 . 105 . 1 1 4 DG C8 C 25.740 21.945 31.466 . . . 1.0 . . . . . . . . . . . . A . 4 DG C8 . . . . . . . . . c17535_2lar 1 . 1 . 106 . 1 1 4 DG H1 H 24.575 25.672 27.796 . . . 1.0 . . . . . . . . . . . . A . 4 DG H1 . . . . . . . . . c17535_2lar 1 . 1 . 107 . 1 1 4 DG H1' H 25.399 24.554 33.601 . . . 1.0 . . . . . . . . . . . . A . 4 DG H1' . . . . . . . . . c17535_2lar 1 . 1 . 108 . 1 1 4 DG H2' H 23.531 22.435 33.064 . . . 1.0 . . . . . . . . . . . . A . 4 DG H2' . . . . . . . . . c17535_2lar 1 . 1 . 109 . 1 1 4 DG H2'' H 23.326 23.729 34.266 . . . 1.0 . . . . . . . . . . . . A . 4 DG H2'' . . . . . . . . . c17535_2lar 1 . 1 . 110 . 1 1 4 DG H21 H 23.807 27.430 28.908 . . . 1.0 . . . . . . . . . . . . A . 4 DG H21 . . . . . . . . . c17535_2lar 1 . 1 . 111 . 1 1 4 DG H22 H 23.882 27.464 30.677 . . . 1.0 . . . . . . . . . . . . A . 4 DG H22 . . . . . . . . . c17535_2lar 1 . 1 . 112 . 1 1 4 DG H3' H 23.889 20.874 34.736 . . . 1.0 . . . . . . . . . . . . A . 4 DG H3' . . . . . . . . . c17535_2lar 1 . 1 . 113 . 1 1 4 DG H4' H 25.632 22.770 36.058 . . . 1.0 . . . . . . . . . . . . A . 4 DG H4' . . . . . . . . . c17535_2lar 1 . 1 . 114 . 1 1 4 DG H5' H 27.474 21.113 35.853 . . . 1.0 . . . . . . . . . . . . A . 4 DG H5' . . . . . . . . . c17535_2lar 1 . 1 . 115 . 1 1 4 DG H5'' H 26.044 20.506 36.700 . . . 1.0 . . . . . . . . . . . . A . 4 DG H5'' . . . . . . . . . c17535_2lar 1 . 1 . 116 . 1 1 4 DG H8 H 25.831 21.062 32.086 . . . 1.0 . . . . . . . . . . . . A . 4 DG H8 . . . . . . . . . c17535_2lar 1 . 1 . 117 . 1 1 4 DG N1 N 24.826 25.205 28.655 . . . 1.0 . . . . . . . . . . . . A . 4 DG N1 . . . . . . . . . c17535_2lar 1 . 1 . 118 . 1 1 4 DG N2 N 24.117 27.039 29.793 . . . 1.0 . . . . . . . . . . . . A . 4 DG N2 . . . . . . . . . c17535_2lar 1 . 1 . 119 . 1 1 4 DG N3 N 24.813 25.300 31.034 . . . 1.0 . . . . . . . . . . . . A . 4 DG N3 . . . . . . . . . c17535_2lar 1 . 1 . 120 . 1 1 4 DG N7 N 25.804 21.945 30.161 . . . 1.0 . . . . . . . . . . . . A . 4 DG N7 . . . . . . . . . c17535_2lar 1 . 1 . 121 . 1 1 4 DG N9 N 25.487 23.167 32.022 . . . 1.0 . . . . . . . . . . . . A . 4 DG N9 . . . . . . . . . c17535_2lar 1 . 1 . 122 . 1 1 4 DG O3' O 23.583 22.222 36.296 . . . 1.0 . . . . . . . . . . . . A . 4 DG O3' . . . . . . . . . c17535_2lar 1 . 1 . 123 . 1 1 4 DG O4' O 26.275 22.727 34.168 . . . 1.0 . . . . . . . . . . . . A . 4 DG O4' . . . . . . . . . c17535_2lar 1 . 1 . 124 . 1 1 4 DG O5' O 26.328 19.764 34.793 . . . 1.0 . . . . . . . . . . . . A . 4 DG O5' . . . . . . . . . c17535_2lar 1 . 1 . 125 . 1 1 4 DG O6 O 25.436 23.456 27.412 . . . 1.0 . . . . . . . . . . . . A . 4 DG O6 . . . . . . . . . c17535_2lar 1 . 1 . 126 . 1 1 4 DG OP1 O 27.251 17.943 36.238 . . . 1.0 . . . . . . . . . . . . A . 4 DG OP1 . . . . . . . . . c17535_2lar 1 . 1 . 127 . 1 1 4 DG OP2 O 26.849 17.598 33.751 . . . 1.0 . . . . . . . . . . . . A . 4 DG OP2 . . . . . . . . . c17535_2lar 1 . 1 . 128 . 1 1 4 DG P P 27.281 18.479 34.856 . . . 1.0 . . . . . . . . . . . . A . 4 DG P . . . . . . . . . c17535_2lar 1 . 1 . 129 . 1 1 5 DT C1' C 20.517 25.284 33.380 . . . 1.0 . . . . . . . . . . . . A . 5 DT C1' . . . . . . . . . c17535_2lar 1 . 1 . 130 . 1 1 5 DT C2 C 21.129 24.866 31.009 . . . 1.0 . . . . . . . . . . . . A . 5 DT C2 . . . . . . . . . c17535_2lar 1 . 1 . 131 . 1 1 5 DT C2' C 19.162 24.798 33.879 . . . 1.0 . . . . . . . . . . . . A . 5 DT C2' . . . . . . . . . c17535_2lar 1 . 1 . 132 . 1 1 5 DT C3' C 19.158 24.723 35.411 . . . 1.0 . . . . . . . . . . . . A . 5 DT C3' . . . . . . . . . c17535_2lar 1 . 1 . 133 . 1 1 5 DT C4 C 21.715 22.623 30.218 . . . 1.0 . . . . . . . . . . . . A . 5 DT C4 . . . . . . . . . c17535_2lar 1 . 1 . 134 . 1 1 5 DT C4' C 20.594 25.205 35.675 . . . 1.0 . . . . . . . . . . . . A . 5 DT C4' . . . . . . . . . c17535_2lar 1 . 1 . 135 . 1 1 5 DT C5 C 21.488 22.129 31.577 . . . 1.0 . . . . . . . . . . . . A . 5 DT C5 . . . . . . . . . c17535_2lar 1 . 1 . 136 . 1 1 5 DT C5' C 21.290 24.241 36.628 . . . 1.0 . . . . . . . . . . . . A . 5 DT C5' . . . . . . . . . c17535_2lar 1 . 1 . 137 . 1 1 5 DT C6 C 21.167 23.008 32.573 . . . 1.0 . . . . . . . . . . . . A . 5 DT C6 . . . . . . . . . c17535_2lar 1 . 1 . 138 . 1 1 5 DT C7 C 21.647 20.631 31.849 . . . 1.0 . . . . . . . . . . . . A . 5 DT C7 . . . . . . . . . c17535_2lar 1 . 1 . 139 . 1 1 5 DT H1' H 20.436 26.314 33.024 . . . 1.0 . . . . . . . . . . . . A . 5 DT H1' . . . . . . . . . c17535_2lar 1 . 1 . 140 . 1 1 5 DT H2' H 19.019 23.806 33.495 . . . 1.0 . . . . . . . . . . . . A . 5 DT H2' . . . . . . . . . c17535_2lar 1 . 1 . 141 . 1 1 5 DT H2'' H 18.400 25.459 33.486 . . . 1.0 . . . . . . . . . . . . A . 5 DT H2'' . . . . . . . . . c17535_2lar 1 . 1 . 142 . 1 1 5 DT H3 H 21.474 24.286 29.066 . . . 1.0 . . . . . . . . . . . . A . 5 DT H3 . . . . . . . . . c17535_2lar 1 . 1 . 143 . 1 1 5 DT H3' H 19.006 23.687 35.744 . . . 1.0 . . . . . . . . . . . . A . 5 DT H3' . . . . . . . . . c17535_2lar 1 . 1 . 144 . 1 1 5 DT H4' H 20.559 26.196 36.125 . . . 1.0 . . . . . . . . . . . . A . 5 DT H4' . . . . . . . . . c17535_2lar 1 . 1 . 145 . 1 1 5 DT H5' H 22.325 24.557 36.751 . . . 1.0 . . . . . . . . . . . . A . 5 DT H5' . . . . . . . . . c17535_2lar 1 . 1 . 146 . 1 1 5 DT H5'' H 20.801 24.282 37.600 . . . 1.0 . . . . . . . . . . . . A . 5 DT H5'' . . . . . . . . . c17535_2lar 1 . 1 . 147 . 1 1 5 DT H6 H 21.079 22.701 33.620 . . . 1.0 . . . . . . . . . . . . A . 5 DT H6 . . . . . . . . . c17535_2lar 1 . 1 . 148 . 1 1 5 DT H71 H 22.630 20.281 31.526 . . . 1.0 . . . . . . . . . . . . A . 5 DT H71 . . . . . . . . . c17535_2lar 1 . 1 . 149 . 1 1 5 DT H72 H 21.492 20.357 32.895 . . . 1.0 . . . . . . . . . . . . A . 5 DT H72 . . . . . . . . . c17535_2lar 1 . 1 . 150 . 1 1 5 DT H73 H 20.922 20.088 31.243 . . . 1.0 . . . . . . . . . . . . A . 5 DT H73 . . . . . . . . . c17535_2lar 1 . 1 . 151 . 1 1 5 DT N1 N 21.015 24.363 32.310 . . . 1.0 . . . . . . . . . . . . A . 5 DT N1 . . . . . . . . . c17535_2lar 1 . 1 . 152 . 1 1 5 DT N3 N 21.477 23.967 30.025 . . . 1.0 . . . . . . . . . . . . A . 5 DT N3 . . . . . . . . . c17535_2lar 1 . 1 . 153 . 1 1 5 DT O2 O 20.909 26.047 30.722 . . . 1.0 . . . . . . . . . . . . A . 5 DT O2 . . . . . . . . . c17535_2lar 1 . 1 . 154 . 1 1 5 DT O3' O 18.203 25.585 36.035 . . . 1.0 . . . . . . . . . . . . A . 5 DT O3' . . . . . . . . . c17535_2lar 1 . 1 . 155 . 1 1 5 DT O4 O 22.117 21.959 29.267 . . . 1.0 . . . . . . . . . . . . A . 5 DT O4 . . . . . . . . . c17535_2lar 1 . 1 . 156 . 1 1 5 DT O4' O 21.376 25.254 34.490 . . . 1.0 . . . . . . . . . . . . A . 5 DT O4' . . . . . . . . . c17535_2lar 1 . 1 . 157 . 1 1 5 DT O5' O 21.249 22.913 36.116 . . . 1.0 . . . . . . . . . . . . A . 5 DT O5' . . . . . . . . . c17535_2lar 1 . 1 . 158 . 1 1 5 DT OP1 O 22.089 21.967 38.237 . . . 1.0 . . . . . . . . . . . . A . 5 DT OP1 . . . . . . . . . c17535_2lar 1 . 1 . 159 . 1 1 5 DT OP2 O 21.798 20.467 36.187 . . . 1.0 . . . . . . . . . . . . A . 5 DT OP2 . . . . . . . . . c17535_2lar 1 . 1 . 160 . 1 1 5 DT P P 22.138 21.785 36.769 . . . 1.0 . . . . . . . . . . . . A . 5 DT P . . . . . . . . . c17535_2lar 1 . 1 . 161 . 1 1 6 BGR BP B 15.672 26.919 36.635 . . . 1.0 . . . . . . . . . . . . A . 6 BGR BP . . . . . . . . . c17535_2lar 1 . 1 . 162 . 1 1 6 BGR C1' C 16.278 24.891 30.248 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C1' . . . . . . . . . c17535_2lar 1 . 1 . 163 . 1 1 6 BGR C2 C 17.678 23.170 26.496 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C2 . . . . . . . . . c17535_2lar 1 . 1 . 164 . 1 1 6 BGR C2' C 14.851 24.393 30.491 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C2' . . . . . . . . . c17535_2lar 1 . 1 . 165 . 1 1 6 BGR C3' C 14.431 24.939 31.849 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C3' . . . . . . . . . c17535_2lar 1 . 1 . 166 . 1 1 6 BGR C4 C 17.546 23.323 28.728 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C4 . . . . . . . . . c17535_2lar 1 . 1 . 167 . 1 1 6 BGR C4' C 15.587 25.887 32.155 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C4' . . . . . . . . . c17535_2lar 1 . 1 . 168 . 1 1 6 BGR C5 C 18.335 22.218 28.973 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C5 . . . . . . . . . c17535_2lar 1 . 1 . 169 . 1 1 6 BGR C5' C 15.842 26.244 33.615 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C5' . . . . . . . . . c17535_2lar 1 . 1 . 170 . 1 1 6 BGR C6 C 18.889 21.550 27.824 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C6 . . . . . . . . . c17535_2lar 1 . 1 . 171 . 1 1 6 BGR C8 C 17.639 22.888 30.877 . . . 1.0 . . . . . . . . . . . . A . 6 BGR C8 . . . . . . . . . c17535_2lar 1 . 1 . 172 . 1 1 6 BGR H1' H 16.313 25.589 29.408 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H1' . . . . . . . . . c17535_2lar 1 . 1 . 173 . 1 1 6 BGR H1BP H 16.068 27.966 36.136 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H1BP . . . . . . . . . c17535_2lar 1 . 1 . 174 . 1 1 6 BGR H2' H 14.796 23.306 30.511 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H2' . . . . . . . . . c17535_2lar 1 . 1 . 175 . 1 1 6 BGR H2'A H 14.217 24.790 29.704 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H2'A . . . . . . . . . c17535_2lar 1 . 1 . 176 . 1 1 6 BGR H2BP H 15.750 27.031 37.848 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H2BP . . . . . . . . . c17535_2lar 1 . 1 . 177 . 1 1 6 BGR H3' H 14.387 24.151 32.604 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H3' . . . . . . . . . c17535_2lar 1 . 1 . 178 . 1 1 6 BGR H3BP H 14.471 26.867 36.421 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H3BP . . . . . . . . . c17535_2lar 1 . 1 . 179 . 1 1 6 BGR H4' H 15.325 26.798 31.681 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H4' . . . . . . . . . c17535_2lar 1 . 1 . 180 . 1 1 6 BGR H5' H 16.636 26.992 33.653 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H5' . . . . . . . . . c17535_2lar 1 . 1 . 181 . 1 1 6 BGR H5'A H 14.932 26.695 34.002 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H5'A . . . . . . . . . c17535_2lar 1 . 1 . 182 . 1 1 6 BGR H8 H 17.324 23.019 31.913 . . . 1.0 . . . . . . . . . . . . A . 6 BGR H8 . . . . . . . . . c17535_2lar 1 . 1 . 183 . 1 1 6 BGR HN1 H 18.757 21.612 25.778 . . . 1.0 . . . . . . . . . . . . A . 6 BGR HN1 . . . . . . . . . c17535_2lar 1 . 1 . 184 . 1 1 6 BGR HN2 H 17.514 22.883 24.505 . . . 1.0 . . . . . . . . . . . . A . 6 BGR HN2 . . . . . . . . . c17535_2lar 1 . 1 . 185 . 1 1 6 BGR HN2A H 16.659 24.263 25.139 . . . 1.0 . . . . . . . . . . . . A . 6 BGR HN2A . . . . . . . . . c17535_2lar 1 . 1 . 186 . 1 1 6 BGR N1 N 18.486 22.093 26.620 . . . 1.0 . . . . . . . . . . . . A . 6 BGR N1 . . . . . . . . . c17535_2lar 1 . 1 . 187 . 1 1 6 BGR N2 N 17.308 23.499 25.286 . . . 1.0 . . . . . . . . . . . . A . 6 BGR N2 . . . . . . . . . c17535_2lar 1 . 1 . 188 . 1 1 6 BGR N3 N 17.184 23.860 27.519 . . . 1.0 . . . . . . . . . . . . A . 6 BGR N3 . . . . . . . . . c17535_2lar 1 . 1 . 189 . 1 1 6 BGR N7 N 18.381 21.940 30.358 . . . 1.0 . . . . . . . . . . . . A . 6 BGR N7 . . . . . . . . . c17535_2lar 1 . 1 . 190 . 1 1 6 BGR N9 N 17.157 23.767 29.961 . . . 1.0 . . . . . . . . . . . . A . 6 BGR N9 . . . . . . . . . c17535_2lar 1 . 1 . 191 . 1 1 6 BGR O3' O 13.203 25.654 31.732 . . . 1.0 . . . . . . . . . . . . A . 6 BGR O3' . . . . . . . . . c17535_2lar 1 . 1 . 192 . 1 1 6 BGR O4' O 16.734 25.468 31.455 . . . 1.0 . . . . . . . . . . . . A . 6 BGR O4' . . . . . . . . . c17535_2lar 1 . 1 . 193 . 1 1 6 BGR O5' O 16.189 25.134 34.423 . . . 1.0 . . . . . . . . . . . . A . 6 BGR O5' . . . . . . . . . c17535_2lar 1 . 1 . 194 . 1 1 6 BGR O6 O 19.639 20.577 27.764 . . . 1.0 . . . . . . . . . . . . A . 6 BGR O6 . . . . . . . . . c17535_2lar 1 . 1 . 195 . 1 1 6 BGR OP1 O 16.364 24.032 36.622 . . . 1.0 . . . . . . . . . . . . A . 6 BGR OP1 . . . . . . . . . c17535_2lar 1 . 1 . 196 . 1 1 6 BGR P P 16.597 25.348 35.959 . . . 1.0 . . . . . . . . . . . . A . 6 BGR P . . . . . . . . . c17535_2lar 1 . 1 . 197 . 1 1 7 DC C1' C 13.196 23.129 26.673 . . . 1.0 . . . . . . . . . . . . A . 7 DC C1' . . . . . . . . . c17535_2lar 1 . 1 . 198 . 1 1 7 DC C2 C 14.880 21.339 26.307 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2 . . . . . . . . . c17535_2lar 1 . 1 . 199 . 1 1 7 DC C2' C 11.827 22.510 26.475 . . . 1.0 . . . . . . . . . . . . A . 7 DC C2' . . . . . . . . . c17535_2lar 1 . 1 . 200 . 1 1 7 DC C3' C 10.855 23.354 27.315 . . . 1.0 . . . . . . . . . . . . A . 7 DC C3' . . . . . . . . . c17535_2lar 1 . 1 . 201 . 1 1 7 DC C4 C 15.623 20.050 28.051 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4 . . . . . . . . . c17535_2lar 1 . 1 . 202 . 1 1 7 DC C4' C 11.704 24.573 27.674 . . . 1.0 . . . . . . . . . . . . A . 7 DC C4' . . . . . . . . . c17535_2lar 1 . 1 . 203 . 1 1 7 DC C5 C 14.746 20.687 28.972 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5 . . . . . . . . . c17535_2lar 1 . 1 . 204 . 1 1 7 DC C5' C 11.419 25.204 29.045 . . . 1.0 . . . . . . . . . . . . A . 7 DC C5' . . . . . . . . . c17535_2lar 1 . 1 . 205 . 1 1 7 DC C6 C 13.976 21.697 28.494 . . . 1.0 . . . . . . . . . . . . A . 7 DC C6 . . . . . . . . . c17535_2lar 1 . 1 . 206 . 1 1 7 DC H1' H 13.603 23.559 25.760 . . . 1.0 . . . . . . . . . . . . A . 7 DC H1' . . . . . . . . . c17535_2lar 1 . 1 . 207 . 1 1 7 DC H2' H 11.847 21.486 26.855 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2' . . . . . . . . . c17535_2lar 1 . 1 . 208 . 1 1 7 DC H2'' H 11.623 22.537 25.401 . . . 1.0 . . . . . . . . . . . . A . 7 DC H2'' . . . . . . . . . c17535_2lar 1 . 1 . 209 . 1 1 7 DC H3' H 10.538 22.863 28.250 . . . 1.0 . . . . . . . . . . . . A . 7 DC H3' . . . . . . . . . c17535_2lar 1 . 1 . 210 . 1 1 7 DC H4' H 11.526 25.323 26.903 . . . 1.0 . . . . . . . . . . . . A . 7 DC H4' . . . . . . . . . c17535_2lar 1 . 1 . 211 . 1 1 7 DC H41 H 17.010 18.673 27.729 . . . 1.0 . . . . . . . . . . . . A . 7 DC H41 . . . . . . . . . c17535_2lar 1 . 1 . 212 . 1 1 7 DC H42 H 16.300 18.708 29.358 . . . 1.0 . . . . . . . . . . . . A . 7 DC H42 . . . . . . . . . c17535_2lar 1 . 1 . 213 . 1 1 7 DC H5 H 14.645 20.351 29.993 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5 . . . . . . . . . c17535_2lar 1 . 1 . 214 . 1 1 7 DC H5' H 12.053 26.087 29.134 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5' . . . . . . . . . c17535_2lar 1 . 1 . 215 . 1 1 7 DC H5'' H 10.378 25.522 29.076 . . . 1.0 . . . . . . . . . . . . A . 7 DC H5'' . . . . . . . . . c17535_2lar 1 . 1 . 216 . 1 1 7 DC H6 H 13.261 22.235 29.111 . . . 1.0 . . . . . . . . . . . . A . 7 DC H6 . . . . . . . . . c17535_2lar 1 . 1 . 217 . 1 1 7 DC N1 N 14.104 22.089 27.193 . . . 1.0 . . . . . . . . . . . . A . 7 DC N1 . . . . . . . . . c17535_2lar 1 . 1 . 218 . 1 1 7 DC N3 N 15.675 20.352 26.770 . . . 1.0 . . . . . . . . . . . . A . 7 DC N3 . . . . . . . . . c17535_2lar 1 . 1 . 219 . 1 1 7 DC N4 N 16.397 19.080 28.424 . . . 1.0 . . . . . . . . . . . . A . 7 DC N4 . . . . . . . . . c17535_2lar 1 . 1 . 220 . 1 1 7 DC O2 O 14.828 21.513 25.087 . . . 1.0 . . . . . . . . . . . . A . 7 DC O2 . . . . . . . . . c17535_2lar 1 . 1 . 221 . 1 1 7 DC O3' O 9.762 23.774 26.509 . . . 1.0 . . . . . . . . . . . . A . 7 DC O3' . . . . . . . . . c17535_2lar 1 . 1 . 222 . 1 1 7 DC O4' O 13.063 24.183 27.601 . . . 1.0 . . . . . . . . . . . . A . 7 DC O4' . . . . . . . . . c17535_2lar 1 . 1 . 223 . 1 1 7 DC O5' O 11.676 24.340 30.149 . . . 1.0 . . . . . . . . . . . . A . 7 DC O5' . . . . . . . . . c17535_2lar 1 . 1 . 224 . 1 1 7 DC OP1 O 10.746 25.962 31.817 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP1 . . . . . . . . . c17535_2lar 1 . 1 . 225 . 1 1 7 DC OP2 O 11.808 23.773 32.574 . . . 1.0 . . . . . . . . . . . . A . 7 DC OP2 . . . . . . . . . c17535_2lar 1 . 1 . 226 . 1 1 7 DC P P 11.788 24.920 31.638 . . . 1.0 . . . . . . . . . . . . A . 7 DC P . . . . . . . . . c17535_2lar 1 . 1 . 227 . 1 1 8 DT C1' C 11.531 19.448 23.029 . . . 1.0 . . . . . . . . . . . . A . 8 DT C1' . . . . . . . . . c17535_2lar 1 . 1 . 228 . 1 1 8 DT C2 C 12.957 17.745 24.128 . . . 1.0 . . . . . . . . . . . . A . 8 DT C2 . . . . . . . . . c17535_2lar 1 . 1 . 229 . 1 1 8 DT C2' C 10.210 19.017 22.445 . . . 1.0 . . . . . . . . . . . . A . 8 DT C2' . . . . . . . . . c17535_2lar 1 . 1 . 230 . 1 1 8 DT C3' C 9.320 20.232 22.305 . . . 1.0 . . . . . . . . . . . . A . 8 DT C3' . . . . . . . . . c17535_2lar 1 . 1 . 231 . 1 1 8 DT C4 C 13.050 17.684 26.570 . . . 1.0 . . . . . . . . . . . . A . 8 DT C4 . . . . . . . . . c17535_2lar 1 . 1 . 232 . 1 1 8 DT C4' C 10.252 21.338 22.802 . . . 1.0 . . . . . . . . . . . . A . 8 DT C4' . . . . . . . . . c17535_2lar 1 . 1 . 233 . 1 1 8 DT C5 C 11.845 18.525 26.585 . . . 1.0 . . . . . . . . . . . . A . 8 DT C5 . . . . . . . . . c17535_2lar 1 . 1 . 234 . 1 1 8 DT C5' C 9.544 22.406 23.654 . . . 1.0 . . . . . . . . . . . . A . 8 DT C5' . . . . . . . . . c17535_2lar 1 . 1 . 235 . 1 1 8 DT C6 C 11.304 18.967 25.413 . . . 1.0 . . . . . . . . . . . . A . 8 DT C6 . . . . . . . . . c17535_2lar 1 . 1 . 236 . 1 1 8 DT C7 C 11.253 18.971 27.915 . . . 1.0 . . . . . . . . . . . . A . 8 DT C7 . . . . . . . . . c17535_2lar 1 . 1 . 237 . 1 1 8 DT H1' H 12.229 19.313 22.212 . . . 1.0 . . . . . . . . . . . . A . 8 DT H1' . . . . . . . . . c17535_2lar 1 . 1 . 238 . 1 1 8 DT H2' H 9.709 18.267 23.013 . . . 1.0 . . . . . . . . . . . . A . 8 DT H2' . . . . . . . . . c17535_2lar 1 . 1 . 239 . 1 1 8 DT H2'' H 10.465 18.617 21.474 . . . 1.0 . . . . . . . . . . . . A . 8 DT H2'' . . . . . . . . . c17535_2lar 1 . 1 . 240 . 1 1 8 DT H3 H 14.260 16.659 25.254 . . . 1.0 . . . . . . . . . . . . A . 8 DT H3 . . . . . . . . . c17535_2lar 1 . 1 . 241 . 1 1 8 DT H3' H 8.473 20.175 22.997 . . . 1.0 . . . . . . . . . . . . A . 8 DT H3' . . . . . . . . . c17535_2lar 1 . 1 . 242 . 1 1 8 DT H4' H 10.684 21.776 21.936 . . . 1.0 . . . . . . . . . . . . A . 8 DT H4' . . . . . . . . . c17535_2lar 1 . 1 . 243 . 1 1 8 DT H5' H 10.219 23.252 23.796 . . . 1.0 . . . . . . . . . . . . A . 8 DT H5' . . . . . . . . . c17535_2lar 1 . 1 . 244 . 1 1 8 DT H5'' H 8.662 22.762 23.121 . . . 1.0 . . . . . . . . . . . . A . 8 DT H5'' . . . . . . . . . c17535_2lar 1 . 1 . 245 . 1 1 8 DT H6 H 10.446 19.643 25.351 . . . 1.0 . . . . . . . . . . . . A . 8 DT H6 . . . . . . . . . c17535_2lar 1 . 1 . 246 . 1 1 8 DT H71 H 10.449 19.698 27.781 . . . 1.0 . . . . . . . . . . . . A . 8 DT H71 . . . . . . . . . c17535_2lar 1 . 1 . 247 . 1 1 8 DT H72 H 10.893 18.118 28.488 . . . 1.0 . . . . . . . . . . . . A . 8 DT H72 . . . . . . . . . c17535_2lar 1 . 1 . 248 . 1 1 8 DT H73 H 12.041 19.413 28.515 . . . 1.0 . . . . . . . . . . . . A . 8 DT H73 . . . . . . . . . c17535_2lar 1 . 1 . 249 . 1 1 8 DT N1 N 11.907 18.661 24.218 . . . 1.0 . . . . . . . . . . . . A . 8 DT N1 . . . . . . . . . c17535_2lar 1 . 1 . 250 . 1 1 8 DT N3 N 13.496 17.318 25.316 . . . 1.0 . . . . . . . . . . . . A . 8 DT N3 . . . . . . . . . c17535_2lar 1 . 1 . 251 . 1 1 8 DT O2 O 13.392 17.310 23.063 . . . 1.0 . . . . . . . . . . . . A . 8 DT O2 . . . . . . . . . c17535_2lar 1 . 1 . 252 . 1 1 8 DT O3' O 8.935 20.341 20.927 . . . 1.0 . . . . . . . . . . . . A . 8 DT O3' . . . . . . . . . c17535_2lar 1 . 1 . 253 . 1 1 8 DT O4 O 13.681 17.294 27.549 . . . 1.0 . . . . . . . . . . . . A . 8 DT O4 . . . . . . . . . c17535_2lar 1 . 1 . 254 . 1 1 8 DT O4' O 11.395 20.798 23.430 . . . 1.0 . . . . . . . . . . . . A . 8 DT O4' . . . . . . . . . c17535_2lar 1 . 1 . 255 . 1 1 8 DT O5' O 9.157 21.878 24.922 . . . 1.0 . . . . . . . . . . . . A . 8 DT O5' . . . . . . . . . c17535_2lar 1 . 1 . 256 . 1 1 8 DT OP1 O 7.510 23.672 25.513 . . . 1.0 . . . . . . . . . . . . A . 8 DT OP1 . . . . . . . . . c17535_2lar 1 . 1 . 257 . 1 1 8 DT OP2 O 8.241 21.948 27.247 . . . 1.0 . . . . . . . . . . . . A . 8 DT OP2 . . . . . . . . . c17535_2lar 1 . 1 . 258 . 1 1 8 DT P P 8.566 22.809 26.087 . . . 1.0 . . . . . . . . . . . . A . 8 DT P . . . . . . . . . c17535_2lar 1 . 1 . 259 . 1 1 9 DC C1' C 11.186 14.900 21.624 . . . 1.0 . . . . . . . . . . . . A . 9 DC C1' . . . . . . . . . c17535_2lar 1 . 1 . 260 . 1 1 9 DC C2 C 12.143 14.168 23.854 . . . 1.0 . . . . . . . . . . . . A . 9 DC C2 . . . . . . . . . c17535_2lar 1 . 1 . 261 . 1 1 9 DC C2' C 9.942 14.081 21.238 . . . 1.0 . . . . . . . . . . . . A . 9 DC C2' . . . . . . . . . c17535_2lar 1 . 1 . 262 . 1 1 9 DC C3' C 9.272 14.889 20.092 . . . 1.0 . . . . . . . . . . . . A . 9 DC C3' . . . . . . . . . c17535_2lar 1 . 1 . 263 . 1 1 9 DC C4 C 11.215 14.938 25.816 . . . 1.0 . . . . . . . . . . . . A . 9 DC C4 . . . . . . . . . c17535_2lar 1 . 1 . 264 . 1 1 9 DC C4' C 10.228 16.069 19.833 . . . 1.0 . . . . . . . . . . . . A . 9 DC C4' . . . . . . . . . c17535_2lar 1 . 1 . 265 . 1 1 9 DC C5 C 10.239 15.703 25.125 . . . 1.0 . . . . . . . . . . . . A . 9 DC C5 . . . . . . . . . c17535_2lar 1 . 1 . 266 . 1 1 9 DC C5' C 9.483 17.371 19.433 . . . 1.0 . . . . . . . . . . . . A . 9 DC C5' . . . . . . . . . c17535_2lar 1 . 1 . 267 . 1 1 9 DC C6 C 10.295 15.679 23.768 . . . 1.0 . . . . . . . . . . . . A . 9 DC C6 . . . . . . . . . c17535_2lar 1 . 1 . 268 . 1 1 9 DC H1' H 12.140 14.498 21.235 . . . 1.0 . . . . . . . . . . . . A . 9 DC H1' . . . . . . . . . c17535_2lar 1 . 1 . 269 . 1 1 9 DC H2' H 9.234 13.959 22.109 . . . 1.0 . . . . . . . . . . . . A . 9 DC H2' . . . . . . . . . c17535_2lar 1 . 1 . 270 . 1 1 9 DC H2'' H 10.348 13.121 20.885 . . . 1.0 . . . . . . . . . . . . A . 9 DC H2'' . . . . . . . . . c17535_2lar 1 . 1 . 271 . 1 1 9 DC H3' H 8.293 15.306 20.392 . . . 1.0 . . . . . . . . . . . . A . 9 DC H3' . . . . . . . . . c17535_2lar 1 . 1 . 272 . 1 1 9 DC H4' H 10.925 15.837 19.002 . . . 1.0 . . . . . . . . . . . . A . 9 DC H4' . . . . . . . . . c17535_2lar 1 . 1 . 273 . 1 1 9 DC H41 H 12.120 14.664 27.577 . . . 1.0 . . . . . . . . . . . . A . 9 DC H41 . . . . . . . . . c17535_2lar 1 . 1 . 274 . 1 1 9 DC H42 H 10.579 15.521 27.625 . . . 1.0 . . . . . . . . . . . . A . 9 DC H42 . . . . . . . . . c17535_2lar 1 . 1 . 275 . 1 1 9 DC H5 H 9.512 16.306 25.651 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5 . . . . . . . . . c17535_2lar 1 . 1 . 276 . 1 1 9 DC H5' H 10.234 18.151 19.298 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5' . . . . . . . . . c17535_2lar 1 . 1 . 277 . 1 1 9 DC H5'' H 9.018 17.207 18.460 . . . 1.0 . . . . . . . . . . . . A . 9 DC H5'' . . . . . . . . . c17535_2lar 1 . 1 . 278 . 1 1 9 DC H6 H 9.680 16.254 23.093 . . . 1.0 . . . . . . . . . . . . A . 9 DC H6 . . . . . . . . . c17535_2lar 1 . 1 . 279 . 1 1 9 DC HO3' H 8.449 13.379 19.162 . . . 1.0 . . . . . . . . . . . . A . 9 DC HO3' . . . . . . . . . c17535_2lar 1 . 1 . 280 . 1 1 9 DC N1 N 11.247 14.954 23.117 . . . 1.0 . . . . . . . . . . . . A . 9 DC N1 . . . . . . . . . c17535_2lar 1 . 1 . 281 . 1 1 9 DC N3 N 12.136 14.209 25.212 . . . 1.0 . . . . . . . . . . . . A . 9 DC N3 . . . . . . . . . c17535_2lar 1 . 1 . 282 . 1 1 9 DC N4 N 11.293 15.014 27.113 . . . 1.0 . . . . . . . . . . . . A . 9 DC N4 . . . . . . . . . c17535_2lar 1 . 1 . 283 . 1 1 9 DC O2 O 12.947 13.406 23.313 . . . 1.0 . . . . . . . . . . . . A . 9 DC O2 . . . . . . . . . c17535_2lar 1 . 1 . 284 . 1 1 9 DC O3' O 9.116 14.064 18.946 . . . 1.0 . . . . . . . . . . . . A . 9 DC O3' . . . . . . . . . c17535_2lar 1 . 1 . 285 . 1 1 9 DC O4' O 10.976 16.192 21.045 . . . 1.0 . . . . . . . . . . . . A . 9 DC O4' . . . . . . . . . c17535_2lar 1 . 1 . 286 . 1 1 9 DC O5' O 8.470 17.832 20.347 . . . 1.0 . . . . . . . . . . . . A . 9 DC O5' . . . . . . . . . c17535_2lar 1 . 1 . 287 . 1 1 9 DC OP1 O 7.752 19.684 18.825 . . . 1.0 . . . . . . . . . . . . A . 9 DC OP1 . . . . . . . . . c17535_2lar 1 . 1 . 288 . 1 1 9 DC OP2 O 6.635 19.396 21.092 . . . 1.0 . . . . . . . . . . . . A . 9 DC OP2 . . . . . . . . . c17535_2lar 1 . 1 . 289 . 1 1 9 DC P P 7.860 19.332 20.260 . . . 1.0 . . . . . . . . . . . . A . 9 DC P . . . . . . . . . c17535_2lar 1 . 1 . 290 . 2 2 1 G C1' C 17.885 10.040 28.934 . . . 1.0 . . . . . . . . . . . . B . 10 G C1' . . . . . . . . . c17535_2lar 1 . 1 . 291 . 2 2 1 G C2 C 14.871 11.961 26.309 . . . 1.0 . . . . . . . . . . . . B . 10 G C2 . . . . . . . . . c17535_2lar 1 . 1 . 292 . 2 2 1 G C2' C 19.211 10.327 28.325 . . . 1.0 . . . . . . . . . . . . B . 10 G C2' . . . . . . . . . c17535_2lar 1 . 1 . 293 . 2 2 1 G C3' C 20.275 9.984 29.354 . . . 1.0 . . . . . . . . . . . . B . 10 G C3' . . . . . . . . . c17535_2lar 1 . 1 . 294 . 2 2 1 G C4 C 16.140 11.737 28.153 . . . 1.0 . . . . . . . . . . . . B . 10 G C4 . . . . . . . . . c17535_2lar 1 . 1 . 295 . 2 2 1 G C4' C 19.492 9.130 30.356 . . . 1.0 . . . . . . . . . . . . B . 10 G C4' . . . . . . . . . c17535_2lar 1 . 1 . 296 . 2 2 1 G C5 C 15.550 12.800 28.807 . . . 1.0 . . . . . . . . . . . . B . 10 G C5 . . . . . . . . . c17535_2lar 1 . 1 . 297 . 2 2 1 G C5' C 19.980 9.228 31.812 . . . 1.0 . . . . . . . . . . . . B . 10 G C5' . . . . . . . . . c17535_2lar 1 . 1 . 298 . 2 2 1 G C6 C 14.432 13.440 28.162 . . . 1.0 . . . . . . . . . . . . B . 10 G C6 . . . . . . . . . c17535_2lar 1 . 1 . 299 . 2 2 1 G C8 C 17.106 12.097 30.079 . . . 1.0 . . . . . . . . . . . . B . 10 G C8 . . . . . . . . . c17535_2lar 1 . 1 . 300 . 2 2 1 G H1 H 13.490 13.454 26.342 . . . 1.0 . . . . . . . . . . . . B . 10 G H1 . . . . . . . . . c17535_2lar 1 . 1 . 301 . 2 2 1 G H1' H 17.304 9.411 28.304 . . . 1.0 . . . . . . . . . . . . B . 10 G H1' . . . . . . . . . c17535_2lar 1 . 1 . 302 . 2 2 1 G H2' H 19.231 11.392 28.183 . . . 1.0 . . . . . . . . . . . . B . 10 G H2' . . . . . . . . . c17535_2lar 1 . 1 . 303 . 2 2 1 G H21 H 13.897 12.272 24.570 . . . 1.0 . . . . . . . . . . . . B . 10 G H21 . . . . . . . . . c17535_2lar 1 . 1 . 304 . 2 2 1 G H22 H 15.035 10.935 24.598 . . . 1.0 . . . . . . . . . . . . B . 10 G H22 . . . . . . . . . c17535_2lar 1 . 1 . 305 . 2 2 1 G H3' H 20.573 10.905 29.859 . . . 1.0 . . . . . . . . . . . . B . 10 G H3' . . . . . . . . . c17535_2lar 1 . 1 . 306 . 2 2 1 G H4' H 19.600 8.096 30.056 . . . 1.0 . . . . . . . . . . . . B . 10 G H4' . . . . . . . . . c17535_2lar 1 . 1 . 307 . 2 2 1 G H5' H 19.350 8.591 32.437 . . . 1.0 . . . . . . . . . . . . B . 10 G H5' . . . . . . . . . c17535_2lar 1 . 1 . 308 . 2 2 1 G H5'' H 20.996 8.836 31.846 . . . 1.0 . . . . . . . . . . . . B . 10 G H5'' . . . . . . . . . c17535_2lar 1 . 1 . 309 . 2 2 1 G H8 H 17.827 11.867 30.851 . . . 1.0 . . . . . . . . . . . . B . 10 G H8 . . . . . . . . . c17535_2lar 1 . 1 . 310 . 2 2 1 G HO2' H 20.138 9.688 26.757 . . . 1.0 . . . . . . . . . . . . B . 10 G HO2' . . . . . . . . . c17535_2lar 1 . 1 . 311 . 2 2 1 G HO5' H 19.149 10.707 32.806 . . . 1.0 . . . . . . . . . . . . B . 10 G HO5' . . . . . . . . . c17535_2lar 1 . 1 . 312 . 2 2 1 G N1 N 14.201 12.986 26.881 . . . 1.0 . . . . . . . . . . . . B . 10 G N1 . . . . . . . . . c17535_2lar 1 . 1 . 313 . 2 2 1 G N2 N 14.545 11.674 25.077 . . . 1.0 . . . . . . . . . . . . B . 10 G N2 . . . . . . . . . c17535_2lar 1 . 1 . 314 . 2 2 1 G N3 N 15.827 11.248 26.908 . . . 1.0 . . . . . . . . . . . . B . 10 G N3 . . . . . . . . . c17535_2lar 1 . 1 . 315 . 2 2 1 G N7 N 16.187 13.031 30.043 . . . 1.0 . . . . . . . . . . . . B . 10 G N7 . . . . . . . . . c17535_2lar 1 . 1 . 316 . 2 2 1 G N9 N 17.078 11.252 29.034 . . . 1.0 . . . . . . . . . . . . B . 10 G N9 . . . . . . . . . c17535_2lar 1 . 1 . 317 . 2 2 1 G O2' O 19.261 9.550 27.145 . . . 1.0 . . . . . . . . . . . . B . 10 G O2' . . . . . . . . . c17535_2lar 1 . 1 . 318 . 2 2 1 G O3' O 21.383 9.328 28.728 . . . 1.0 . . . . . . . . . . . . B . 10 G O3' . . . . . . . . . c17535_2lar 1 . 1 . 319 . 2 2 1 G O4' O 18.114 9.463 30.219 . . . 1.0 . . . . . . . . . . . . B . 10 G O4' . . . . . . . . . c17535_2lar 1 . 1 . 320 . 2 2 1 G O5' O 19.992 10.551 32.335 . . . 1.0 . . . . . . . . . . . . B . 10 G O5' . . . . . . . . . c17535_2lar 1 . 1 . 321 . 2 2 1 G O6 O 13.666 14.300 28.591 . . . 1.0 . . . . . . . . . . . . B . 10 G O6 . . . . . . . . . c17535_2lar 1 . 1 . 322 . 2 2 2 A C1' C 18.986 11.517 23.871 . . . 1.0 . . . . . . . . . . . . B . 11 A C1' . . . . . . . . . c17535_2lar 1 . 1 . 323 . 2 2 2 A C2 C 15.931 14.703 23.772 . . . 1.0 . . . . . . . . . . . . B . 11 A C2 . . . . . . . . . c17535_2lar 1 . 1 . 324 . 2 2 2 A C2' C 19.991 11.837 22.791 . . . 1.0 . . . . . . . . . . . . B . 11 A C2' . . . . . . . . . c17535_2lar 1 . 1 . 325 . 2 2 2 A C3' C 21.315 11.592 23.538 . . . 1.0 . . . . . . . . . . . . B . 11 A C3' . . . . . . . . . c17535_2lar 1 . 1 . 326 . 2 2 2 A C4 C 17.652 13.575 24.634 . . . 1.0 . . . . . . . . . . . . B . 11 A C4 . . . . . . . . . c17535_2lar 1 . 1 . 327 . 2 2 2 A C4' C 20.941 10.280 24.231 . . . 1.0 . . . . . . . . . . . . B . 11 A C4' . . . . . . . . . c17535_2lar 1 . 1 . 328 . 2 2 2 A C5 C 17.570 14.222 25.844 . . . 1.0 . . . . . . . . . . . . B . 11 A C5 . . . . . . . . . c17535_2lar 1 . 1 . 329 . 2 2 2 A C5' C 21.840 9.783 25.391 . . . 1.0 . . . . . . . . . . . . B . 11 A C5' . . . . . . . . . c17535_2lar 1 . 1 . 330 . 2 2 2 A C6 C 16.523 15.176 25.925 . . . 1.0 . . . . . . . . . . . . B . 11 A C6 . . . . . . . . . c17535_2lar 1 . 1 . 331 . 2 2 2 A C8 C 19.062 12.745 26.057 . . . 1.0 . . . . . . . . . . . . B . 11 A C8 . . . . . . . . . c17535_2lar 1 . 1 . 332 . 2 2 2 A H1' H 18.049 11.191 23.478 . . . 1.0 . . . . . . . . . . . . B . 11 A H1' . . . . . . . . . c17535_2lar 1 . 1 . 333 . 2 2 2 A H2 H 15.210 14.848 22.979 . . . 1.0 . . . . . . . . . . . . B . 11 A H2 . . . . . . . . . c17535_2lar 1 . 1 . 334 . 2 2 2 A H2' H 19.869 12.860 22.486 . . . 1.0 . . . . . . . . . . . . B . 11 A H2' . . . . . . . . . c17535_2lar 1 . 1 . 335 . 2 2 2 A H3' H 21.484 12.343 24.325 . . . 1.0 . . . . . . . . . . . . B . 11 A H3' . . . . . . . . . c17535_2lar 1 . 1 . 336 . 2 2 2 A H4' H 20.938 9.510 23.464 . . . 1.0 . . . . . . . . . . . . B . 11 A H4' . . . . . . . . . c17535_2lar 1 . 1 . 337 . 2 2 2 A H5' H 21.494 8.788 25.677 . . . 1.0 . . . . . . . . . . . . B . 11 A H5' . . . . . . . . . c17535_2lar 1 . 1 . 338 . 2 2 2 A H5'' H 22.859 9.671 25.015 . . . 1.0 . . . . . . . . . . . . B . 11 A H5'' . . . . . . . . . c17535_2lar 1 . 1 . 339 . 2 2 2 A H61 H 15.350 16.396 27.053 . . . 1.0 . . . . . . . . . . . . B . 11 A H61 . . . . . . . . . c17535_2lar 1 . 1 . 340 . 2 2 2 A H62 H 16.754 15.747 27.855 . . . 1.0 . . . . . . . . . . . . B . 11 A H62 . . . . . . . . . c17535_2lar 1 . 1 . 341 . 2 2 2 A H8 H 19.669 11.961 26.471 . . . 1.0 . . . . . . . . . . . . B . 11 A H8 . . . . . . . . . c17535_2lar 1 . 1 . 342 . 2 2 2 A HO2' H 20.641 10.892 21.218 . . . 1.0 . . . . . . . . . . . . B . 11 A HO2' . . . . . . . . . c17535_2lar 1 . 1 . 343 . 2 2 2 A N1 N 15.713 15.397 24.886 . . . 1.0 . . . . . . . . . . . . B . 11 A N1 . . . . . . . . . c17535_2lar 1 . 1 . 344 . 2 2 2 A N3 N 16.856 13.773 23.544 . . . 1.0 . . . . . . . . . . . . B . 11 A N3 . . . . . . . . . c17535_2lar 1 . 1 . 345 . 2 2 2 A N6 N 16.208 15.862 27.008 . . . 1.0 . . . . . . . . . . . . B . 11 A N6 . . . . . . . . . c17535_2lar 1 . 1 . 346 . 2 2 2 A N7 N 18.487 13.684 26.762 . . . 1.0 . . . . . . . . . . . . B . 11 A N7 . . . . . . . . . c17535_2lar 1 . 1 . 347 . 2 2 2 A N9 N 18.657 12.640 24.770 . . . 1.0 . . . . . . . . . . . . B . 11 A N9 . . . . . . . . . c17535_2lar 1 . 1 . 348 . 2 2 2 A O2' O 19.797 10.940 21.694 . . . 1.0 . . . . . . . . . . . . B . 11 A O2' . . . . . . . . . c17535_2lar 1 . 1 . 349 . 2 2 2 A O3' O 22.384 11.490 22.598 . . . 1.0 . . . . . . . . . . . . B . 11 A O3' . . . . . . . . . c17535_2lar 1 . 1 . 350 . 2 2 2 A O4' O 19.581 10.449 24.610 . . . 1.0 . . . . . . . . . . . . B . 11 A O4' . . . . . . . . . c17535_2lar 1 . 1 . 351 . 2 2 2 A O5' O 21.853 10.630 26.548 . . . 1.0 . . . . . . . . . . . . B . 11 A O5' . . . . . . . . . c17535_2lar 1 . 1 . 352 . 2 2 2 A OP1 O 23.588 9.187 27.649 . . . 1.0 . . . . . . . . . . . . B . 11 A OP1 . . . . . . . . . c17535_2lar 1 . 1 . 353 . 2 2 2 A OP2 O 22.840 11.339 28.780 . . . 1.0 . . . . . . . . . . . . B . 11 A OP2 . . . . . . . . . c17535_2lar 1 . 1 . 354 . 2 2 2 A P P 22.515 10.156 27.957 . . . 1.0 . . . . . . . . . . . . B . 11 A P . . . . . . . . . c17535_2lar 1 . 1 . 355 . 2 2 3 G C1' C 18.600 15.612 20.997 . . . 1.0 . . . . . . . . . . . . B . 12 G C1' . . . . . . . . . c17535_2lar 1 . 1 . 356 . 2 2 3 G C2 C 16.487 18.633 23.482 . . . 1.0 . . . . . . . . . . . . B . 12 G C2 . . . . . . . . . c17535_2lar 1 . 1 . 357 . 2 2 3 G C2' C 19.211 16.584 20.006 . . . 1.0 . . . . . . . . . . . . B . 12 G C2' . . . . . . . . . c17535_2lar 1 . 1 . 358 . 2 2 3 G C3' C 20.608 15.979 19.884 . . . 1.0 . . . . . . . . . . . . B . 12 G C3' . . . . . . . . . c17535_2lar 1 . 1 . 359 . 2 2 3 G C4 C 18.022 17.056 23.036 . . . 1.0 . . . . . . . . . . . . B . 12 G C4 . . . . . . . . . c17535_2lar 1 . 1 . 360 . 2 2 3 G C4' C 20.291 14.488 19.924 . . . 1.0 . . . . . . . . . . . . B . 12 G C4' . . . . . . . . . c17535_2lar 1 . 1 . 361 . 2 2 3 G C5 C 18.575 17.116 24.301 . . . 1.0 . . . . . . . . . . . . B . 12 G C5 . . . . . . . . . c17535_2lar 1 . 1 . 362 . 2 2 3 G C5' C 21.500 13.574 20.215 . . . 1.0 . . . . . . . . . . . . B . 12 G C5' . . . . . . . . . c17535_2lar 1 . 1 . 363 . 2 2 3 G C6 C 18.015 18.031 25.255 . . . 1.0 . . . . . . . . . . . . B . 12 G C6 . . . . . . . . . c17535_2lar 1 . 1 . 364 . 2 2 3 G C8 C 19.677 15.660 23.238 . . . 1.0 . . . . . . . . . . . . B . 12 G C8 . . . . . . . . . c17535_2lar 1 . 1 . 365 . 2 2 3 G H1 H 16.520 19.410 25.373 . . . 1.0 . . . . . . . . . . . . B . 12 G H1 . . . . . . . . . c17535_2lar 1 . 1 . 366 . 2 2 3 G H1' H 17.560 15.538 20.849 . . . 1.0 . . . . . . . . . . . . B . 12 G H1' . . . . . . . . . c17535_2lar 1 . 1 . 367 . 2 2 3 G H2' H 19.260 17.565 20.472 . . . 1.0 . . . . . . . . . . . . B . 12 G H2' . . . . . . . . . c17535_2lar 1 . 1 . 368 . 2 2 3 G H21 H 15.296 20.218 23.791 . . . 1.0 . . . . . . . . . . . . B . 12 G H21 . . . . . . . . . c17535_2lar 1 . 1 . 369 . 2 2 3 G H22 H 15.175 19.455 22.199 . . . 1.0 . . . . . . . . . . . . B . 12 G H22 . . . . . . . . . c17535_2lar 1 . 1 . 370 . 2 2 3 G H3' H 21.132 16.232 20.793 . . . 1.0 . . . . . . . . . . . . B . 12 G H3' . . . . . . . . . c17535_2lar 1 . 1 . 371 . 2 2 3 G H4' H 19.872 14.223 18.962 . . . 1.0 . . . . . . . . . . . . B . 12 G H4' . . . . . . . . . c17535_2lar 1 . 1 . 372 . 2 2 3 G H5' H 21.167 12.541 20.133 . . . 1.0 . . . . . . . . . . . . B . 12 G H5' . . . . . . . . . c17535_2lar 1 . 1 . 373 . 2 2 3 G H5'' H 22.253 13.742 19.443 . . . 1.0 . . . . . . . . . . . . B . 12 G H5'' . . . . . . . . . c17535_2lar 1 . 1 . 374 . 2 2 3 G H8 H 20.432 14.976 22.931 . . . 1.0 . . . . . . . . . . . . B . 12 G H8 . . . . . . . . . c17535_2lar 1 . 1 . 375 . 2 2 3 G HO2' H 17.779 17.250 18.788 . . . 1.0 . . . . . . . . . . . . B . 12 G HO2' . . . . . . . . . c17535_2lar 1 . 1 . 376 . 2 2 3 G N1 N 16.957 18.752 24.748 . . . 1.0 . . . . . . . . . . . . B . 12 G N1 . . . . . . . . . c17535_2lar 1 . 1 . 377 . 2 2 3 G N2 N 15.566 19.491 23.137 . . . 1.0 . . . . . . . . . . . . B . 12 G N2 . . . . . . . . . c17535_2lar 1 . 1 . 378 . 2 2 3 G N3 N 16.972 17.796 22.558 . . . 1.0 . . . . . . . . . . . . B . 12 G N3 . . . . . . . . . c17535_2lar 1 . 1 . 379 . 2 2 3 G N7 N 19.647 16.224 24.411 . . . 1.0 . . . . . . . . . . . . B . 12 G N7 . . . . . . . . . c17535_2lar 1 . 1 . 380 . 2 2 3 G N9 N 18.754 16.101 22.365 . . . 1.0 . . . . . . . . . . . . B . 12 G N9 . . . . . . . . . c17535_2lar 1 . 1 . 381 . 2 2 3 G O2' O 18.458 16.550 18.795 . . . 1.0 . . . . . . . . . . . . B . 12 G O2' . . . . . . . . . c17535_2lar 1 . 1 . 382 . 2 2 3 G O3' O 21.327 16.361 18.719 . . . 1.0 . . . . . . . . . . . . B . 12 G O3' . . . . . . . . . c17535_2lar 1 . 1 . 383 . 2 2 3 G O4' O 19.223 14.344 20.841 . . . 1.0 . . . . . . . . . . . . B . 12 G O4' . . . . . . . . . c17535_2lar 1 . 1 . 384 . 2 2 3 G O5' O 22.087 13.794 21.498 . . . 1.0 . . . . . . . . . . . . B . 12 G O5' . . . . . . . . . c17535_2lar 1 . 1 . 385 . 2 2 3 G O6 O 18.354 18.244 26.421 . . . 1.0 . . . . . . . . . . . . B . 12 G O6 . . . . . . . . . c17535_2lar 1 . 1 . 386 . 2 2 3 G OP1 O 24.140 12.398 21.067 . . . 1.0 . . . . . . . . . . . . B . 12 G OP1 . . . . . . . . . c17535_2lar 1 . 1 . 387 . 2 2 3 G OP2 O 23.706 13.429 23.344 . . . 1.0 . . . . . . . . . . . . B . 12 G OP2 . . . . . . . . . c17535_2lar 1 . 1 . 388 . 2 2 3 G P P 23.181 12.793 22.124 . . . 1.0 . . . . . . . . . . . . B . 12 G P . . . . . . . . . c17535_2lar 1 . 1 . 389 . 2 2 4 C C1' C 18.263 20.750 20.448 . . . 1.0 . . . . . . . . . . . . B . 13 C C1' . . . . . . . . . c17535_2lar 1 . 1 . 390 . 2 2 4 C C2 C 18.490 21.147 22.904 . . . 1.0 . . . . . . . . . . . . B . 13 C C2 . . . . . . . . . c17535_2lar 1 . 1 . 391 . 2 2 4 C C2' C 18.781 22.025 19.856 . . . 1.0 . . . . . . . . . . . . B . 13 C C2' . . . . . . . . . c17535_2lar 1 . 1 . 392 . 2 2 4 C C3' C 19.953 21.580 18.993 . . . 1.0 . . . . . . . . . . . . B . 13 C C3' . . . . . . . . . c17535_2lar 1 . 1 . 393 . 2 2 4 C C4 C 20.247 20.225 24.068 . . . 1.0 . . . . . . . . . . . . B . 13 C C4 . . . . . . . . . c17535_2lar 1 . 1 . 394 . 2 2 4 C C4' C 19.375 20.269 18.457 . . . 1.0 . . . . . . . . . . . . B . 13 C C4' . . . . . . . . . c17535_2lar 1 . 1 . 395 . 2 2 4 C C5 C 20.727 19.596 22.895 . . . 1.0 . . . . . . . . . . . . B . 13 C C5 . . . . . . . . . c17535_2lar 1 . 1 . 396 . 2 2 4 C C5' C 20.417 19.265 17.932 . . . 1.0 . . . . . . . . . . . . B . 13 C C5' . . . . . . . . . c17535_2lar 1 . 1 . 397 . 2 2 4 C C6 C 20.008 19.698 21.777 . . . 1.0 . . . . . . . . . . . . B . 13 C C6 . . . . . . . . . c17535_2lar 1 . 1 . 398 . 2 2 4 C H1' H 17.243 20.950 20.672 . . . 1.0 . . . . . . . . . . . . B . 13 C H1' . . . . . . . . . c17535_2lar 1 . 1 . 399 . 2 2 4 C H2' H 19.079 22.662 20.678 . . . 1.0 . . . . . . . . . . . . B . 13 C H2' . . . . . . . . . c17535_2lar 1 . 1 . 400 . 2 2 4 C H3' H 20.834 21.384 19.602 . . . 1.0 . . . . . . . . . . . . B . 13 C H3' . . . . . . . . . c17535_2lar 1 . 1 . 401 . 2 2 4 C H4' H 18.742 20.550 17.619 . . . 1.0 . . . . . . . . . . . . B . 13 C H4' . . . . . . . . . c17535_2lar 1 . 1 . 402 . 2 2 4 C H41 H 20.477 20.403 26.051 . . . 1.0 . . . . . . . . . . . . B . 13 C H41 . . . . . . . . . c17535_2lar 1 . 1 . 403 . 2 2 4 C H42 H 21.707 19.466 25.189 . . . 1.0 . . . . . . . . . . . . B . 13 C H42 . . . . . . . . . c17535_2lar 1 . 1 . 404 . 2 2 4 C H5 H 21.619 19.039 22.814 . . . 1.0 . . . . . . . . . . . . B . 13 C H5 . . . . . . . . . c17535_2lar 1 . 1 . 405 . 2 2 4 C H5' H 19.888 18.384 17.567 . . . 1.0 . . . . . . . . . . . . B . 13 C H5' . . . . . . . . . c17535_2lar 1 . 1 . 406 . 2 2 4 C H5'' H 20.943 19.712 17.086 . . . 1.0 . . . . . . . . . . . . B . 13 C H5'' . . . . . . . . . c17535_2lar 1 . 1 . 407 . 2 2 4 C H6 H 20.316 19.185 20.890 . . . 1.0 . . . . . . . . . . . . B . 13 C H6 . . . . . . . . . c17535_2lar 1 . 1 . 408 . 2 2 4 C HO2' H 18.198 23.022 18.325 . . . 1.0 . . . . . . . . . . . . B . 13 C HO2' . . . . . . . . . c17535_2lar 1 . 1 . 409 . 2 2 4 C N1 N 18.905 20.475 21.747 . . . 1.0 . . . . . . . . . . . . B . 13 C N1 . . . . . . . . . c17535_2lar 1 . 1 . 410 . 2 2 4 C N3 N 19.151 20.962 24.075 . . . 1.0 . . . . . . . . . . . . B . 13 C N3 . . . . . . . . . c17535_2lar 1 . 1 . 411 . 2 2 4 C N4 N 20.881 20.055 25.193 . . . 1.0 . . . . . . . . . . . . B . 13 C N4 . . . . . . . . . c17535_2lar 1 . 1 . 412 . 2 2 4 C O2 O 17.550 21.941 22.884 . . . 1.0 . . . . . . . . . . . . B . 13 C O2 . . . . . . . . . c17535_2lar 1 . 1 . 413 . 2 2 4 C O2' O 17.743 22.564 19.049 . . . 1.0 . . . . . . . . . . . . B . 13 C O2' . . . . . . . . . c17535_2lar 1 . 1 . 414 . 2 2 4 C O3' O 20.196 22.537 17.977 . . . 1.0 . . . . . . . . . . . . B . 13 C O3' . . . . . . . . . c17535_2lar 1 . 1 . 415 . 2 2 4 C O4' O 18.490 19.744 19.459 . . . 1.0 . . . . . . . . . . . . B . 13 C O4' . . . . . . . . . c17535_2lar 1 . 1 . 416 . 2 2 4 C O5' O 21.363 18.887 18.925 . . . 1.0 . . . . . . . . . . . . B . 13 C O5' . . . . . . . . . c17535_2lar 1 . 1 . 417 . 2 2 4 C OP1 O 22.909 17.713 17.379 . . . 1.0 . . . . . . . . . . . . B . 13 C OP1 . . . . . . . . . c17535_2lar 1 . 1 . 418 . 2 2 4 C OP2 O 23.191 17.484 19.905 . . . 1.0 . . . . . . . . . . . . B . 13 C OP2 . . . . . . . . . c17535_2lar 1 . 1 . 419 . 2 2 4 C P P 22.307 17.616 18.722 . . . 1.0 . . . . . . . . . . . . B . 13 C P . . . . . . . . . c17535_2lar 1 . 1 . 420 . 2 2 5 A C1' C 18.778 25.488 22.573 . . . 1.0 . . . . . . . . . . . . B . 14 A C1' . . . . . . . . . c17535_2lar 1 . 1 . 421 . 2 2 5 A C2 C 20.286 25.484 26.674 . . . 1.0 . . . . . . . . . . . . B . 14 A C2 . . . . . . . . . c17535_2lar 1 . 1 . 422 . 2 2 5 A C2' C 19.106 26.972 22.368 . . . 1.0 . . . . . . . . . . . . B . 14 A C2' . . . . . . . . . c17535_2lar 1 . 1 . 423 . 2 2 5 A C3' C 19.614 26.948 20.922 . . . 1.0 . . . . . . . . . . . . B . 14 A C3' . . . . . . . . . c17535_2lar 1 . 1 . 424 . 2 2 5 A C4 C 20.282 24.856 24.527 . . . 1.0 . . . . . . . . . . . . B . 14 A C4 . . . . . . . . . c17535_2lar 1 . 1 . 425 . 2 2 5 A C4' C 18.624 25.965 20.318 . . . 1.0 . . . . . . . . . . . . B . 14 A C4' . . . . . . . . . c17535_2lar 1 . 1 . 426 . 2 2 5 A C5 C 21.163 23.832 24.747 . . . 1.0 . . . . . . . . . . . . B . 14 A C5 . . . . . . . . . c17535_2lar 1 . 1 . 427 . 2 2 5 A C5' C 19.209 25.410 19.014 . . . 1.0 . . . . . . . . . . . . B . 14 A C5' . . . . . . . . . c17535_2lar 1 . 1 . 428 . 2 2 5 A C6 C 21.550 23.683 26.102 . . . 1.0 . . . . . . . . . . . . B . 14 A C6 . . . . . . . . . c17535_2lar 1 . 1 . 429 . 2 2 5 A C8 C 20.604 23.698 22.711 . . . 1.0 . . . . . . . . . . . . B . 14 A C8 . . . . . . . . . c17535_2lar 1 . 1 . 430 . 2 2 5 A H1' H 18.010 25.411 23.323 . . . 1.0 . . . . . . . . . . . . B . 14 A H1' . . . . . . . . . c17535_2lar 1 . 1 . 431 . 2 2 5 A H2 H 19.984 26.184 27.440 . . . 1.0 . . . . . . . . . . . . B . 14 A H2 . . . . . . . . . c17535_2lar 1 . 1 . 432 . 2 2 5 A H2' H 19.885 27.283 23.057 . . . 1.0 . . . . . . . . . . . . B . 14 A H2' . . . . . . . . . c17535_2lar 1 . 1 . 433 . 2 2 5 A H3' H 20.605 26.505 20.890 . . . 1.0 . . . . . . . . . . . . B . 14 A H3' . . . . . . . . . c17535_2lar 1 . 1 . 434 . 2 2 5 A H4' H 17.693 26.493 20.107 . . . 1.0 . . . . . . . . . . . . B . 14 A H4' . . . . . . . . . c17535_2lar 1 . 1 . 435 . 2 2 5 A H5' H 18.457 24.816 18.503 . . . 1.0 . . . . . . . . . . . . B . 14 A H5' . . . . . . . . . c17535_2lar 1 . 1 . 436 . 2 2 5 A H5'' H 19.481 26.240 18.358 . . . 1.0 . . . . . . . . . . . . B . 14 A H5'' . . . . . . . . . c17535_2lar 1 . 1 . 437 . 2 2 5 A H61 H 22.382 22.560 27.541 . . . 1.0 . . . . . . . . . . . . B . 14 A H61 . . . . . . . . . c17535_2lar 1 . 1 . 438 . 2 2 5 A H62 H 22.748 22.083 25.886 . . . 1.0 . . . . . . . . . . . . B . 14 A H62 . . . . . . . . . c17535_2lar 1 . 1 . 439 . 2 2 5 A H8 H 20.391 23.309 21.736 . . . 1.0 . . . . . . . . . . . . B . 14 A H8 . . . . . . . . . c17535_2lar 1 . 1 . 440 . 2 2 5 A HO2' H 17.752 27.752 23.547 . . . 1.0 . . . . . . . . . . . . B . 14 A HO2' . . . . . . . . . c17535_2lar 1 . 1 . 441 . 2 2 5 A N1 N 21.099 24.509 27.052 . . . 1.0 . . . . . . . . . . . . B . 14 A N1 . . . . . . . . . c17535_2lar 1 . 1 . 442 . 2 2 5 A N3 N 19.813 25.742 25.455 . . . 1.0 . . . . . . . . . . . . B . 14 A N3 . . . . . . . . . c17535_2lar 1 . 1 . 443 . 2 2 5 A N6 N 22.320 22.713 26.544 . . . 1.0 . . . . . . . . . . . . B . 14 A N6 . . . . . . . . . c17535_2lar 1 . 1 . 444 . 2 2 5 A N7 N 21.394 23.107 23.567 . . . 1.0 . . . . . . . . . . . . B . 14 A N7 . . . . . . . . . c17535_2lar 1 . 1 . 445 . 2 2 5 A N9 N 19.911 24.767 23.201 . . . 1.0 . . . . . . . . . . . . B . 14 A N9 . . . . . . . . . c17535_2lar 1 . 1 . 446 . 2 2 5 A O2' O 17.918 27.738 22.581 . . . 1.0 . . . . . . . . . . . . B . 14 A O2' . . . . . . . . . c17535_2lar 1 . 1 . 447 . 2 2 5 A O3' O 19.594 28.183 20.233 . . . 1.0 . . . . . . . . . . . . B . 14 A O3' . . . . . . . . . c17535_2lar 1 . 1 . 448 . 2 2 5 A O4' O 18.386 24.965 21.308 . . . 1.0 . . . . . . . . . . . . B . 14 A O4' . . . . . . . . . c17535_2lar 1 . 1 . 449 . 2 2 5 A O5' O 20.365 24.642 19.315 . . . 1.0 . . . . . . . . . . . . B . 14 A O5' . . . . . . . . . c17535_2lar 1 . 1 . 450 . 2 2 5 A OP1 O 21.177 24.568 16.970 . . . 1.0 . . . . . . . . . . . . B . 14 A OP1 . . . . . . . . . c17535_2lar 1 . 1 . 451 . 2 2 5 A OP2 O 22.399 23.360 18.836 . . . 1.0 . . . . . . . . . . . . B . 14 A OP2 . . . . . . . . . c17535_2lar 1 . 1 . 452 . 2 2 5 A P P 21.128 23.791 18.223 . . . 1.0 . . . . . . . . . . . . B . 14 A P . . . . . . . . . c17535_2lar 1 . 1 . 453 . 2 2 6 C C1' C 21.588 29.156 25.360 . . . 1.0 . . . . . . . . . . . . B . 15 C C1' . . . . . . . . . c17535_2lar 1 . 1 . 454 . 2 2 6 C C2 C 23.141 27.427 26.245 . . . 1.0 . . . . . . . . . . . . B . 15 C C2 . . . . . . . . . c17535_2lar 1 . 1 . 455 . 2 2 6 C C2' C 22.370 30.457 25.495 . . . 1.0 . . . . . . . . . . . . B . 15 C C2' . . . . . . . . . c17535_2lar 1 . 1 . 456 . 2 2 6 C C3' C 22.388 30.963 24.045 . . . 1.0 . . . . . . . . . . . . B . 15 C C3' . . . . . . . . . c17535_2lar 1 . 1 . 457 . 2 2 6 C C4 C 23.917 25.703 24.935 . . . 1.0 . . . . . . . . . . . . B . 15 C C4 . . . . . . . . . c17535_2lar 1 . 1 . 458 . 2 2 6 C C4' C 20.955 30.583 23.656 . . . 1.0 . . . . . . . . . . . . B . 15 C C4' . . . . . . . . . c17535_2lar 1 . 1 . 459 . 2 2 6 C C5 C 23.307 26.239 23.774 . . . 1.0 . . . . . . . . . . . . B . 15 C C5 . . . . . . . . . c17535_2lar 1 . 1 . 460 . 2 2 6 C C5' C 20.624 30.545 22.162 . . . 1.0 . . . . . . . . . . . . B . 15 C C5' . . . . . . . . . c17535_2lar 1 . 1 . 461 . 2 2 6 C C6 C 22.606 27.390 23.916 . . . 1.0 . . . . . . . . . . . . B . 15 C C6 . . . . . . . . . c17535_2lar 1 . 1 . 462 . 2 2 6 C H1' H 21.013 28.952 26.250 . . . 1.0 . . . . . . . . . . . . B . 15 C H1' . . . . . . . . . c17535_2lar 1 . 1 . 463 . 2 2 6 C H2' H 23.364 30.252 25.877 . . . 1.0 . . . . . . . . . . . . B . 15 C H2' . . . . . . . . . c17535_2lar 1 . 1 . 464 . 2 2 6 C H3' H 23.132 30.406 23.460 . . . 1.0 . . . . . . . . . . . . B . 15 C H3' . . . . . . . . . c17535_2lar 1 . 1 . 465 . 2 2 6 C H4' H 20.301 31.334 24.099 . . . 1.0 . . . . . . . . . . . . B . 15 C H4' . . . . . . . . . c17535_2lar 1 . 1 . 466 . 2 2 6 C H41 H 24.891 24.185 25.744 . . . 1.0 . . . . . . . . . . . . B . 15 C H41 . . . . . . . . . c17535_2lar 1 . 1 . 467 . 2 2 6 C H42 H 24.573 24.051 24.007 . . . 1.0 . . . . . . . . . . . . B . 15 C H42 . . . . . . . . . c17535_2lar 1 . 1 . 468 . 2 2 6 C H5 H 23.406 25.775 22.808 . . . 1.0 . . . . . . . . . . . . B . 15 C H5 . . . . . . . . . c17535_2lar 1 . 1 . 469 . 2 2 6 C H5' H 19.554 30.368 22.060 . . . 1.0 . . . . . . . . . . . . B . 15 C H5' . . . . . . . . . c17535_2lar 1 . 1 . 470 . 2 2 6 C H5'' H 20.860 31.512 21.714 . . . 1.0 . . . . . . . . . . . . B . 15 C H5'' . . . . . . . . . c17535_2lar 1 . 1 . 471 . 2 2 6 C H6 H 22.079 27.841 23.091 . . . 1.0 . . . . . . . . . . . . B . 15 C H6 . . . . . . . . . c17535_2lar 1 . 1 . 472 . 2 2 6 C HO2' H 22.020 32.228 26.188 . . . 1.0 . . . . . . . . . . . . B . 15 C HO2' . . . . . . . . . c17535_2lar 1 . 1 . 473 . 2 2 6 C N1 N 22.485 27.983 25.143 . . . 1.0 . . . . . . . . . . . . B . 15 C N1 . . . . . . . . . c17535_2lar 1 . 1 . 474 . 2 2 6 C N3 N 23.842 26.276 26.120 . . . 1.0 . . . . . . . . . . . . B . 15 C N3 . . . . . . . . . c17535_2lar 1 . 1 . 475 . 2 2 6 C N4 N 24.562 24.574 24.870 . . . 1.0 . . . . . . . . . . . . B . 15 C N4 . . . . . . . . . c17535_2lar 1 . 1 . 476 . 2 2 6 C O2 O 23.102 27.971 27.349 . . . 1.0 . . . . . . . . . . . . B . 15 C O2 . . . . . . . . . c17535_2lar 1 . 1 . 477 . 2 2 6 C O2' O 21.669 31.342 26.361 . . . 1.0 . . . . . . . . . . . . B . 15 C O2' . . . . . . . . . c17535_2lar 1 . 1 . 478 . 2 2 6 C O3' O 22.550 32.372 23.979 . . . 1.0 . . . . . . . . . . . . B . 15 C O3' . . . . . . . . . c17535_2lar 1 . 1 . 479 . 2 2 6 C O4' O 20.668 29.344 24.289 . . . 1.0 . . . . . . . . . . . . B . 15 C O4' . . . . . . . . . c17535_2lar 1 . 1 . 480 . 2 2 6 C O5' O 21.338 29.520 21.501 . . . 1.0 . . . . . . . . . . . . B . 15 C O5' . . . . . . . . . c17535_2lar 1 . 1 . 481 . 2 2 6 C OP1 O 20.557 30.209 19.227 . . . 1.0 . . . . . . . . . . . . B . 15 C OP1 . . . . . . . . . c17535_2lar 1 . 1 . 482 . 2 2 6 C OP2 O 21.986 28.131 19.565 . . . 1.0 . . . . . . . . . . . . B . 15 C OP2 . . . . . . . . . c17535_2lar 1 . 1 . 483 . 2 2 6 C P P 20.918 29.033 20.050 . . . 1.0 . . . . . . . . . . . . B . 15 C P . . . . . . . . . c17535_2lar 1 . 1 . 484 . 2 2 7 C C1' C 25.876 30.790 28.413 . . . 1.0 . . . . . . . . . . . . B . 16 C C1' . . . . . . . . . c17535_2lar 1 . 1 . 485 . 2 2 7 C C2 C 26.934 28.538 28.234 . . . 1.0 . . . . . . . . . . . . B . 16 C C2 . . . . . . . . . c17535_2lar 1 . 1 . 486 . 2 2 7 C C2' C 26.964 31.839 28.684 . . . 1.0 . . . . . . . . . . . . B . 16 C C2' . . . . . . . . . c17535_2lar 1 . 1 . 487 . 2 2 7 C C3' C 26.735 32.737 27.475 . . . 1.0 . . . . . . . . . . . . B . 16 C C3' . . . . . . . . . c17535_2lar 1 . 1 . 488 . 2 2 7 C C4 C 26.891 27.327 26.283 . . . 1.0 . . . . . . . . . . . . B . 16 C C4 . . . . . . . . . c17535_2lar 1 . 1 . 489 . 2 2 7 C C4' C 25.212 32.811 27.475 . . . 1.0 . . . . . . . . . . . . B . 16 C C4' . . . . . . . . . c17535_2lar 1 . 1 . 490 . 2 2 7 C C5 C 26.313 28.405 25.558 . . . 1.0 . . . . . . . . . . . . B . 16 C C5 . . . . . . . . . c17535_2lar 1 . 1 . 491 . 2 2 7 C C5' C 24.570 33.402 26.217 . . . 1.0 . . . . . . . . . . . . B . 16 C C5' . . . . . . . . . c17535_2lar 1 . 1 . 492 . 2 2 7 C C6 C 26.080 29.555 26.235 . . . 1.0 . . . . . . . . . . . . B . 16 C C6 . . . . . . . . . c17535_2lar 1 . 1 . 493 . 2 2 7 C H1' H 25.577 30.376 29.367 . . . 1.0 . . . . . . . . . . . . B . 16 C H1' . . . . . . . . . c17535_2lar 1 . 1 . 494 . 2 2 7 C H2' H 27.958 31.396 28.668 . . . 1.0 . . . . . . . . . . . . B . 16 C H2' . . . . . . . . . c17535_2lar 1 . 1 . 495 . 2 2 7 C H3' H 27.083 32.140 26.638 . . . 1.0 . . . . . . . . . . . . B . 16 C H3' . . . . . . . . . c17535_2lar 1 . 1 . 496 . 2 2 7 C H4' H 24.919 33.495 28.278 . . . 1.0 . . . . . . . . . . . . B . 16 C H4' . . . . . . . . . c17535_2lar 1 . 1 . 497 . 2 2 7 C H41 H 27.692 25.507 26.216 . . . 1.0 . . . . . . . . . . . . B . 16 C H41 . . . . . . . . . c17535_2lar 1 . 1 . 498 . 2 2 7 C H42 H 26.980 26.088 24.716 . . . 1.0 . . . . . . . . . . . . B . 16 C H42 . . . . . . . . . c17535_2lar 1 . 1 . 499 . 2 2 7 C H5 H 26.124 28.353 24.496 . . . 1.0 . . . . . . . . . . . . B . 16 C H5 . . . . . . . . . c17535_2lar 1 . 1 . 500 . 2 2 7 C H5' H 23.496 33.461 26.392 . . . 1.0 . . . . . . . . . . . . B . 16 C H5' . . . . . . . . . c17535_2lar 1 . 1 . 501 . 2 2 7 C H5'' H 24.935 34.425 26.099 . . . 1.0 . . . . . . . . . . . . B . 16 C H5'' . . . . . . . . . c17535_2lar 1 . 1 . 502 . 2 2 7 C H6 H 25.720 30.449 25.742 . . . 1.0 . . . . . . . . . . . . B . 16 C H6 . . . . . . . . . c17535_2lar 1 . 1 . 503 . 2 2 7 C HO2' H 26.922 31.842 30.642 . . . 1.0 . . . . . . . . . . . . B . 16 C HO2' . . . . . . . . . c17535_2lar 1 . 1 . 504 . 2 2 7 C N1 N 26.335 29.627 27.585 . . . 1.0 . . . . . . . . . . . . B . 16 C N1 . . . . . . . . . c17535_2lar 1 . 1 . 505 . 2 2 7 C N3 N 27.204 27.391 27.563 . . . 1.0 . . . . . . . . . . . . B . 16 C N3 . . . . . . . . . c17535_2lar 1 . 1 . 506 . 2 2 7 C N4 N 27.210 26.216 25.683 . . . 1.0 . . . . . . . . . . . . B . 16 C N4 . . . . . . . . . c17535_2lar 1 . 1 . 507 . 2 2 7 C O2 O 27.244 28.591 29.423 . . . 1.0 . . . . . . . . . . . . B . 16 C O2 . . . . . . . . . c17535_2lar 1 . 1 . 508 . 2 2 7 C O2' O 26.709 32.479 29.930 . . . 1.0 . . . . . . . . . . . . B . 16 C O2' . . . . . . . . . c17535_2lar 1 . 1 . 509 . 2 2 7 C O3' O 27.316 34.032 27.533 . . . 1.0 . . . . . . . . . . . . B . 16 C O3' . . . . . . . . . c17535_2lar 1 . 1 . 510 . 2 2 7 C O4' O 24.783 31.485 27.792 . . . 1.0 . . . . . . . . . . . . B . 16 C O4' . . . . . . . . . c17535_2lar 1 . 1 . 511 . 2 2 7 C O5' O 24.813 32.691 25.013 . . . 1.0 . . . . . . . . . . . . B . 16 C O5' . . . . . . . . . c17535_2lar 1 . 1 . 512 . 2 2 7 C OP1 O 23.705 34.512 23.712 . . . 1.0 . . . . . . . . . . . . B . 16 C OP1 . . . . . . . . . c17535_2lar 1 . 1 . 513 . 2 2 7 C OP2 O 24.574 32.438 22.528 . . . 1.0 . . . . . . . . . . . . B . 16 C OP2 . . . . . . . . . c17535_2lar 1 . 1 . 514 . 2 2 7 C P P 23.954 33.055 23.718 . . . 1.0 . . . . . . . . . . . . B . 16 C P . . . . . . . . . c17535_2lar 1 . 1 . 515 . 2 2 8 A C1' C 31.113 30.249 29.441 . . . 1.0 . . . . . . . . . . . . B . 17 A C1' . . . . . . . . . c17535_2lar 1 . 1 . 516 . 2 2 8 A C2 C 31.906 26.309 27.932 . . . 1.0 . . . . . . . . . . . . B . 17 A C2 . . . . . . . . . c17535_2lar 1 . 1 . 517 . 2 2 8 A C2' C 32.502 30.880 29.319 . . . 1.0 . . . . . . . . . . . . B . 17 A C2' . . . . . . . . . c17535_2lar 1 . 1 . 518 . 2 2 8 A C3' C 32.116 32.293 28.886 . . . 1.0 . . . . . . . . . . . . B . 17 A C3' . . . . . . . . . c17535_2lar 1 . 1 . 519 . 2 2 8 A C4 C 31.023 28.329 27.837 . . . 1.0 . . . . . . . . . . . . B . 17 A C4 . . . . . . . . . c17535_2lar 1 . 1 . 520 . 2 2 8 A C4' C 30.860 32.509 29.724 . . . 1.0 . . . . . . . . . . . . B . 17 A C4' . . . . . . . . . c17535_2lar 1 . 1 . 521 . 2 2 8 A C5 C 30.435 28.128 26.618 . . . 1.0 . . . . . . . . . . . . B . 17 A C5 . . . . . . . . . c17535_2lar 1 . 1 . 522 . 2 2 8 A C5' C 29.981 33.619 29.146 . . . 1.0 . . . . . . . . . . . . B . 17 A C5' . . . . . . . . . c17535_2lar 1 . 1 . 523 . 2 2 8 A C6 C 30.673 26.840 26.082 . . . 1.0 . . . . . . . . . . . . B . 17 A C6 . . . . . . . . . c17535_2lar 1 . 1 . 524 . 2 2 8 A C8 C 29.977 30.116 27.183 . . . 1.0 . . . . . . . . . . . . B . 17 A C8 . . . . . . . . . c17535_2lar 1 . 1 . 525 . 2 2 8 A H1' H 31.118 29.456 30.161 . . . 1.0 . . . . . . . . . . . . B . 17 A H1' . . . . . . . . . c17535_2lar 1 . 1 . 526 . 2 2 8 A H2 H 32.547 25.614 28.442 . . . 1.0 . . . . . . . . . . . . B . 17 A H2 . . . . . . . . . c17535_2lar 1 . 1 . 527 . 2 2 8 A H2' H 33.094 30.388 28.547 . . . 1.0 . . . . . . . . . . . . B . 17 A H2' . . . . . . . . . c17535_2lar 1 . 1 . 528 . 2 2 8 A H3' H 31.839 32.271 27.830 . . . 1.0 . . . . . . . . . . . . B . 17 A H3' . . . . . . . . . c17535_2lar 1 . 1 . 529 . 2 2 8 A H4' H 31.172 32.776 30.731 . . . 1.0 . . . . . . . . . . . . B . 17 A H4' . . . . . . . . . c17535_2lar 1 . 1 . 530 . 2 2 8 A H5' H 29.052 33.671 29.713 . . . 1.0 . . . . . . . . . . . . B . 17 A H5' . . . . . . . . . c17535_2lar 1 . 1 . 531 . 2 2 8 A H5'' H 30.513 34.566 29.246 . . . 1.0 . . . . . . . . . . . . B . 17 A H5'' . . . . . . . . . c17535_2lar 1 . 1 . 532 . 2 2 8 A H61 H 30.404 25.490 24.588 . . . 1.0 . . . . . . . . . . . . B . 17 A H61 . . . . . . . . . c17535_2lar 1 . 1 . 533 . 2 2 8 A H62 H 29.762 27.100 24.306 . . . 1.0 . . . . . . . . . . . . B . 17 A H62 . . . . . . . . . c17535_2lar 1 . 1 . 534 . 2 2 8 A H8 H 29.620 31.119 27.269 . . . 1.0 . . . . . . . . . . . . B . 17 A H8 . . . . . . . . . c17535_2lar 1 . 1 . 535 . 2 2 8 A HO2' H 33.419 29.895 30.740 . . . 1.0 . . . . . . . . . . . . B . 17 A HO2' . . . . . . . . . c17535_2lar 1 . 1 . 536 . 2 2 8 A N1 N 31.418 25.953 26.750 . . . 1.0 . . . . . . . . . . . . B . 17 A N1 . . . . . . . . . c17535_2lar 1 . 1 . 537 . 2 2 8 A N3 N 31.785 27.467 28.559 . . . 1.0 . . . . . . . . . . . . B . 17 A N3 . . . . . . . . . c17535_2lar 1 . 1 . 538 . 2 2 8 A N6 N 30.256 26.441 24.895 . . . 1.0 . . . . . . . . . . . . B . 17 A N6 . . . . . . . . . c17535_2lar 1 . 1 . 539 . 2 2 8 A N7 N 29.750 29.285 26.201 . . . 1.0 . . . . . . . . . . . . B . 17 A N7 . . . . . . . . . c17535_2lar 1 . 1 . 540 . 2 2 8 A N9 N 30.719 29.606 28.193 . . . 1.0 . . . . . . . . . . . . B . 17 A N9 . . . . . . . . . c17535_2lar 1 . 1 . 541 . 2 2 8 A O2' O 33.150 30.825 30.585 . . . 1.0 . . . . . . . . . . . . B . 17 A O2' . . . . . . . . . c17535_2lar 1 . 1 . 542 . 2 2 8 A O3' O 33.100 33.274 29.158 . . . 1.0 . . . . . . . . . . . . B . 17 A O3' . . . . . . . . . c17535_2lar 1 . 1 . 543 . 2 2 8 A O4' O 30.186 31.263 29.799 . . . 1.0 . . . . . . . . . . . . B . 17 A O4' . . . . . . . . . c17535_2lar 1 . 1 . 544 . 2 2 8 A O5' O 29.714 33.375 27.776 . . . 1.0 . . . . . . . . . . . . B . 17 A O5' . . . . . . . . . c17535_2lar 1 . 1 . 545 . 2 2 8 A OP1 O 29.141 35.702 27.247 . . . 1.0 . . . . . . . . . . . . B . 17 A OP1 . . . . . . . . . c17535_2lar 1 . 1 . 546 . 2 2 8 A OP2 O 28.830 33.847 25.540 . . . 1.0 . . . . . . . . . . . . B . 17 A OP2 . . . . . . . . . c17535_2lar 1 . 1 . 547 . 2 2 8 A P P 28.758 34.309 26.942 . . . 1.0 . . . . . . . . . . . . B . 17 A P . . . . . . . . . c17535_2lar 1 . 1 . 548 . 2 2 9 U C1' C 35.975 28.448 27.576 . . . 1.0 . . . . . . . . . . . . B . 18 U C1' . . . . . . . . . c17535_2lar 1 . 1 . 549 . 2 2 9 U C2 C 34.819 27.047 25.892 . . . 1.0 . . . . . . . . . . . . B . 18 U C2 . . . . . . . . . c17535_2lar 1 . 1 . 550 . 2 2 9 U C2' C 37.232 28.934 26.864 . . . 1.0 . . . . . . . . . . . . B . 18 U C2' . . . . . . . . . c17535_2lar 1 . 1 . 551 . 2 2 9 U C3' C 37.215 30.384 27.274 . . . 1.0 . . . . . . . . . . . . B . 18 U C3' . . . . . . . . . c17535_2lar 1 . 1 . 552 . 2 2 9 U C4 C 33.219 28.006 24.307 . . . 1.0 . . . . . . . . . . . . B . 18 U C4 . . . . . . . . . c17535_2lar 1 . 1 . 553 . 2 2 9 U C4' C 36.584 30.443 28.653 . . . 1.0 . . . . . . . . . . . . B . 18 U C4' . . . . . . . . . c17535_2lar 1 . 1 . 554 . 2 2 9 U C5 C 33.281 29.221 25.097 . . . 1.0 . . . . . . . . . . . . B . 18 U C5 . . . . . . . . . c17535_2lar 1 . 1 . 555 . 2 2 9 U C5' C 35.937 31.809 28.922 . . . 1.0 . . . . . . . . . . . . B . 18 U C5' . . . . . . . . . c17535_2lar 1 . 1 . 556 . 2 2 9 U C6 C 34.142 29.338 26.142 . . . 1.0 . . . . . . . . . . . . B . 18 U C6 . . . . . . . . . c17535_2lar 1 . 1 . 557 . 2 2 9 U H1' H 36.097 27.447 27.942 . . . 1.0 . . . . . . . . . . . . B . 18 U H1' . . . . . . . . . c17535_2lar 1 . 1 . 558 . 2 2 9 U H2' H 37.045 28.929 25.787 . . . 1.0 . . . . . . . . . . . . B . 18 U H2' . . . . . . . . . c17535_2lar 1 . 1 . 559 . 2 2 9 U H3 H 33.931 26.087 24.329 . . . 1.0 . . . . . . . . . . . . B . 18 U H3 . . . . . . . . . c17535_2lar 1 . 1 . 560 . 2 2 9 U H3' H 36.480 30.760 26.589 . . . 1.0 . . . . . . . . . . . . B . 18 U H3' . . . . . . . . . c17535_2lar 1 . 1 . 561 . 2 2 9 U H4' H 37.361 30.313 29.420 . . . 1.0 . . . . . . . . . . . . B . 18 U H4' . . . . . . . . . c17535_2lar 1 . 1 . 562 . 2 2 9 U H5 H 32.611 30.040 24.866 . . . 1.0 . . . . . . . . . . . . B . 18 U H5 . . . . . . . . . c17535_2lar 1 . 1 . 563 . 2 2 9 U H5' H 35.436 31.765 29.887 . . . 1.0 . . . . . . . . . . . . B . 18 U H5' . . . . . . . . . c17535_2lar 1 . 1 . 564 . 2 2 9 U H5'' H 36.744 32.538 28.989 . . . 1.0 . . . . . . . . . . . . B . 18 U H5'' . . . . . . . . . c17535_2lar 1 . 1 . 565 . 2 2 9 U H6 H 34.131 30.208 26.768 . . . 1.0 . . . . . . . . . . . . B . 18 U H6 . . . . . . . . . c17535_2lar 1 . 1 . 566 . 2 2 9 U HO2' H 38.433 28.142 28.225 . . . 1.0 . . . . . . . . . . . . B . 18 U HO2' . . . . . . . . . c17535_2lar 1 . 1 . 567 . 2 2 9 U HO3' H 39.059 30.743 27.846 . . . 1.0 . . . . . . . . . . . . B . 18 U HO3' . . . . . . . . . c17535_2lar 1 . 1 . 568 . 2 2 9 U N1 N 34.917 28.284 26.542 . . . 1.0 . . . . . . . . . . . . B . 18 U N1 . . . . . . . . . c17535_2lar 1 . 1 . 569 . 2 2 9 U N3 N 33.997 26.984 24.792 . . . 1.0 . . . . . . . . . . . . B . 18 U N3 . . . . . . . . . c17535_2lar 1 . 1 . 570 . 2 2 9 U O2 O 35.424 26.035 26.256 . . . 1.0 . . . . . . . . . . . . B . 18 U O2 . . . . . . . . . c17535_2lar 1 . 1 . 571 . 2 2 9 U O2' O 38.401 28.217 27.241 . . . 1.0 . . . . . . . . . . . . B . 18 U O2' . . . . . . . . . c17535_2lar 1 . 1 . 572 . 2 2 9 U O3' O 38.455 31.058 27.132 . . . 1.0 . . . . . . . . . . . . B . 18 U O3' . . . . . . . . . c17535_2lar 1 . 1 . 573 . 2 2 9 U O4 O 32.568 27.839 23.277 . . . 1.0 . . . . . . . . . . . . B . 18 U O4 . . . . . . . . . c17535_2lar 1 . 1 . 574 . 2 2 9 U O4' O 35.650 29.357 28.641 . . . 1.0 . . . . . . . . . . . . B . 18 U O4' . . . . . . . . . c17535_2lar 1 . 1 . 575 . 2 2 9 U O5' O 35.026 32.248 27.919 . . . 1.0 . . . . . . . . . . . . B . 18 U O5' . . . . . . . . . c17535_2lar 1 . 1 . 576 . 2 2 9 U OP1 O 35.092 34.639 28.720 . . . 1.0 . . . . . . . . . . . . B . 18 U OP1 . . . . . . . . . c17535_2lar 1 . 1 . 577 . 2 2 9 U OP2 O 33.525 33.945 26.821 . . . 1.0 . . . . . . . . . . . . B . 18 U OP2 . . . . . . . . . c17535_2lar 1 . 1 . 578 . 2 2 9 U P P 34.216 33.620 28.095 . . . 1.0 . . . . . . . . . . . . B . 18 U P . . . . . . . . . c17535_2lar 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c17535_2lar _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2lar.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c17535_2lar 1 1 2lar.mr . . AMBER 2 distance NOE simple 228 c17535_2lar 1 1 2lar.mr . . AMBER 3 'dihedral angle' 'Not applicable' 'Not applicable' 80 c17535_2lar 1 1 2lar.mr . . AMBER 4 'dihedral angle' 'Not applicable' 'Not applicable' 35 c17535_2lar 1 1 2lar.mr . . AMBER 5 unknown 'Not applicable' 'Not applicable' 0 c17535_2lar 1 1 2lar.mr . . AMBER 6 'dipolar coupling' 'Not applicable' 'Not applicable' 45 c17535_2lar 1 1 2lar.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c17535_2lar 1 stop_ save_ save_AMBER_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c17535_2lar _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c17535_2lar 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 DA H8 H . . . 1 1 1 1 DA H1' H . . . . . 2.95 2.85 4.95 . . . . . A . 1 DA H8 . . A . 1 DA H1' . . . 1 . H8 . . . . . 1 . H1'' . . c17535_2lar 1 2 1 . . 1 1 1 1 DA H1' H . . . 1 1 1 1 DA H2 H . . . . . 5.41 4.05 7.41 . . . . . A . 1 DA H1' . . A . 1 DA H2 . . . 1 . H1'' . . . . . 1 . H2 . . c17535_2lar 1 3 1 . . 1 1 1 1 DA H1' H . . . 1 1 1 1 DA H3' H . . . . . 4.89 3.87 6.89 . . . . . A . 1 DA H1' . . A . 1 DA H3' . . . 1 . H1'' . . . . . 1 . H3'' . . c17535_2lar 1 4 1 . . 1 1 1 1 DA H8 H . . . 1 1 1 1 DA H3' H . . . . . 4.58 3.80 6.58 . . . . . A . 1 DA H8 . . A . 1 DA H3' . . . 1 . H8 . . . . . 1 . H3'' . . c17535_2lar 1 5 1 . . 1 1 1 1 DA H1' H . . . 1 1 1 1 DA H2' H . . . . . 4.13 3.31 6.13 . . . . . A . 1 DA H1' . . A . 1 DA H2' . . . 1 . H1'' . . . . . 1 . H2''1 . . c17535_2lar 1 6 1 . . 1 1 1 1 DA H8 H . . . 1 1 1 1 DA H2' H . . . . . 2.92 2.81 4.92 . . . . . A . 1 DA H8 . . A . 1 DA H2' . . . 1 . H8 . . . . . 1 . H2''1 . . c17535_2lar 1 7 1 . . 1 1 1 1 DA H1' H . . . 1 1 1 1 DA H2' H . . . . . 2.46 2.35 4.46 . . . . . A . 1 DA H1' . . A . 1 DA H2' . . . 1 . H1'' . . . . . 1 . H2''2 . . c17535_2lar 1 8 1 . . 1 1 1 1 DA H8 H . . . 1 1 1 1 DA H2' H . . . . . 5.86 3.90 7.86 . . . . . A . 1 DA H8 . . A . 1 DA H2' . . . 1 . H8 . . . . . 1 . H2''2 . . c17535_2lar 1 9 1 . . 1 1 1 1 DA H3' H . . . 1 1 1 1 DA H2' H . . . . . 3.45 3.10 5.45 . . . . . A . 1 DA H3' . . A . 1 DA H2' . . . 1 . H3'' . . . . . 1 . H2''2 . . c17535_2lar 1 10 1 . . 1 1 1 1 DA H2 H . . . 1 1 2 2 DT H1' H . . . . . 4.39 3.79 6.39 . . . . . A . 1 DA H2 . . A . 2 DT H1' . . . 1 . H2 . . . . . 2 . H1'' . . c17535_2lar 1 11 1 . . 1 1 1 1 DA H1' H . . . 1 1 2 2 DT H6 H . . . . . 5.00 3.77 7.00 . . . . . A . 1 DA H1' . . A . 2 DT H6 . . . 1 . H1'' . . . . . 2 . H6 . . c17535_2lar 1 12 1 . . 1 1 1 1 DA H3' H . . . 1 1 2 2 DT H6 H . . . . . 4.35 3.53 6.35 . . . . . A . 1 DA H3' . . A . 2 DT H6 . . . 1 . H3'' . . . . . 2 . H6 . . c17535_2lar 1 13 1 . . 1 1 1 1 DA H2' H . . . 1 1 2 2 DT H6 H . . . . . 2.89 2.70 4.89 . . . . . A . 1 DA H2' . . A . 2 DT H6 . . . 1 . H2''1 . . . . . 2 . H6 . . c17535_2lar 1 14 1 . . 1 1 1 1 DA H2' H . . . 1 1 2 2 DT H6 H . . . . . 3.00 2.78 5.00 . . . . . A . 1 DA H2' . . A . 2 DT H6 . . . 1 . H2''2 . . . . . 2 . H6 . . c17535_2lar 1 15 1 . . 1 1 2 2 DT H1' H . . . 1 1 2 2 DT H6 H . . . . . 3.43 3.11 5.43 . . . . . A . 2 DT H1' . . A . 2 DT H6 . . . 2 . H1'' . . . . . 2 . H6 . . c17535_2lar 1 16 1 . . 1 1 2 2 DT H1' H . . . 1 1 2 2 DT H3' H . . . . . 4.57 3.64 6.57 . . . . . A . 2 DT H1' . . A . 2 DT H3' . . . 2 . H1'' . . . . . 2 . H3'' . . c17535_2lar 1 17 1 . . 1 1 2 2 DT H6 H . . . 1 1 2 2 DT H3' H . . . . . 5.10 3.69 7.10 . . . . . A . 2 DT H6 . . A . 2 DT H3' . . . 2 . H6 . . . . . 2 . H3'' . . c17535_2lar 1 18 1 . . 1 1 2 2 DT H1' H . . . 1 1 2 2 DT H2' H . . . . . 3.71 3.13 5.71 . . . . . A . 2 DT H1' . . A . 2 DT H2' . . . 2 . H1'' . . . . . 2 . H2''1 . . c17535_2lar 1 19 1 . . 1 1 2 2 DT H6 H . . . 1 1 2 2 DT H2' H . . . . . 2.05 1.93 4.05 . . . . . A . 2 DT H6 . . A . 2 DT H2' . . . 2 . H6 . . . . . 2 . H2''1 . . c17535_2lar 1 20 1 . . 1 1 2 2 DT H3' H . . . 1 1 2 2 DT H2' H . . . . . 2.37 2.24 4.37 . . . . . A . 2 DT H3' . . A . 2 DT H2' . . . 2 . H3'' . . . . . 2 . H2''1 . . c17535_2lar 1 21 1 . . 1 1 2 2 DT H3' H . . . 1 1 2 2 DT H2'' H . . . . . 3.82 3.20 5.82 . . . . . A . 2 DT H3' . . A . 2 DT H2'' . . . 2 . H3'' . . . . . 2 . H2''2 . . c17535_2lar 1 22 1 . . 1 1 2 2 DT H1' H . . . 1 1 3 3 DG H8 H . . . . . 3.16 3.04 5.16 . . . . . A . 2 DT H1' . . A . 3 DG H8 . . . 2 . H1'' . . . . . 3 . H8 . . c17535_2lar 1 23 1 . . 1 1 2 2 DT H3' H . . . 1 1 3 3 DG H8 H . . . . . 4.33 3.54 6.33 . . . . . A . 2 DT H3' . . A . 3 DG H8 . . . 2 . H3'' . . . . . 3 . H8 . . c17535_2lar 1 24 1 . . 1 1 2 2 DT H2' H . . . 1 1 3 3 DG H8 H . . . . . 4.36 3.27 6.36 . . . . . A . 2 DT H2' . . A . 3 DG H8 . . . 2 . H2''1 . . . . . 3 . H8 . . c17535_2lar 1 25 1 . . 1 1 2 2 DT H2'' H . . . 1 1 3 3 DG H8 H . . . . . 2.61 2.49 4.61 . . . . . A . 2 DT H2'' . . A . 3 DG H8 . . . 2 . H2''2 . . . . . 3 . H8 . . c17535_2lar 1 26 1 . . 1 1 3 3 DG H8 H . . . 1 1 3 3 DG H1' H . . . . . 3.36 3.23 5.36 . . . . . A . 3 DG H8 . . A . 3 DG H1' . . . 3 . H8 . . . . . 3 . H1'' . . c17535_2lar 1 27 1 . . 1 1 3 3 DG H1' H . . . 1 1 3 3 DG H3' H . . . . . 4.75 3.86 6.75 . . . . . A . 3 DG H1' . . A . 3 DG H3' . . . 3 . H1'' . . . . . 3 . H3'' . . c17535_2lar 1 28 1 . . 1 1 3 3 DG H8 H . . . 1 1 3 3 DG H3' H . . . . . 3.71 3.38 5.71 . . . . . A . 3 DG H8 . . A . 3 DG H3' . . . 3 . H8 . . . . . 3 . H3'' . . c17535_2lar 1 29 1 . . 1 1 3 3 DG H3' H . . . 1 1 4 4 DG H8 H . . . . . 5.05 4.14 7.05 . . . . . A . 3 DG H3' . . A . 4 DG H8 . . . 3 . H3'' . . . . . 4 . H8 . . c17535_2lar 1 30 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H3' H . . . . . 3.53 3.34 5.53 . . . . . A . 4 DG H8 . . A . 4 DG H3' . . . 4 . H8 . . . . . 4 . H3'' . . c17535_2lar 1 31 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H2' H . . . . . 2.75 2.67 4.75 . . . . . A . 4 DG H8 . . A . 4 DG H2' . . . 4 . H8 . . . . . 4 . H2''1 . . c17535_2lar 1 32 1 . . 1 1 4 4 DG H3' H . . . 1 1 4 4 DG H2' H . . . . . 2.49 2.41 4.49 . . . . . A . 4 DG H3' . . A . 4 DG H2' . . . 4 . H3'' . . . . . 4 . H2''1 . . c17535_2lar 1 33 1 . . 1 1 4 4 DG H3' H . . . 1 1 5 5 DT H6 H . . . . . 3.45 3.15 5.45 . . . . . A . 4 DG H3' . . A . 5 DT H6 . . . 4 . H3'' . . . . . 5 . H6 . . c17535_2lar 1 34 1 . . 1 1 5 5 DT H6 H . . . 1 1 5 5 DT H3' H . . . . . 3.05 2.96 5.05 . . . . . A . 5 DT H6 . . A . 5 DT H3' . . . 5 . H6 . . . . . 5 . H3'' . . c17535_2lar 1 35 1 . . 1 1 5 5 DT H3' H . . . 1 1 5 5 DT H2' H . . . . . 2.61 2.51 4.61 . . . . . A . 5 DT H3' . . A . 5 DT H2' . . . 5 . H3'' . . . . . 5 . H2''1 . . c17535_2lar 1 36 1 . . 1 1 5 5 DT H3' H . . . 1 1 5 5 DT H2'' H . . . . . 3.40 2.86 5.40 . . . . . A . 5 DT H3' . . A . 5 DT H2'' . . . 5 . H3'' . . . . . 5 . H2''2 . . c17535_2lar 1 37 1 . . 1 1 5 5 DT H6 H . . . 1 1 6 6 BGR H8 H . . . . . 3.85 3.43 5.85 . . . . . A . 5 DT H6 . . A . 6 BGR H8 . . . 5 . H6 . . . . . 6 . H8 . . c17535_2lar 1 38 1 . . 1 1 5 5 DT H3' H . . . 1 1 6 6 BGR H8 H . . . . . 4.05 3.62 6.05 . . . . . A . 5 DT H3' . . A . 6 BGR H8 . . . 5 . H3'' . . . . . 6 . H8 . . c17535_2lar 1 39 1 . . 1 1 5 5 DT H2' H . . . 1 1 6 6 BGR H8 H . . . . . 2.99 2.83 4.99 . . . . . A . 5 DT H2' . . A . 6 BGR H8 . . . 5 . H2''1 . . . . . 6 . H8 . . c17535_2lar 1 40 1 . . 1 1 5 5 DT H2'' H . . . 1 1 6 6 BGR H8 H . . . . . 3.07 2.82 5.07 . . . . . A . 5 DT H2'' . . A . 6 BGR H8 . . . 5 . H2''2 . . . . . 6 . H8 . . c17535_2lar 1 41 1 . . 1 1 6 6 BGR H8 H . . . 1 1 6 6 BGR H3' H . . . . . 3.39 3.23 5.39 . . . . . A . 6 BGR H8 . . A . 6 BGR H3' . . . 6 . H8 . . . . . 6 . H3'' . . c17535_2lar 1 42 1 . . 1 1 7 7 DC H6 H . . . 1 1 7 7 DC H1' H . . . . . 3.78 3.22 5.78 . . . . . A . 7 DC H6 . . A . 7 DC H1' . . . 7 . H6 . . . . . 7 . H1'' . . c17535_2lar 1 43 1 . . 1 1 6 6 BGR H8 H . . . 1 1 7 7 DC H5 H . . . . . 4.19 3.66 6.19 . . . . . A . 6 BGR H8 . . A . 7 DC H5 . . . 6 . H8 . . . . . 7 . H5 . . c17535_2lar 1 44 1 . . 1 1 7 7 DC H1' H . . . 1 1 7 7 DC H3' H . . . . . 4.23 3.55 6.23 . . . . . A . 7 DC H1' . . A . 7 DC H3' . . . 7 . H1'' . . . . . 7 . H3'' . . c17535_2lar 1 45 1 . . 1 1 7 7 DC H6 H . . . 1 1 7 7 DC H3' H . . . . . 2.86 2.69 4.86 . . . . . A . 7 DC H6 . . A . 7 DC H3' . . . 7 . H6 . . . . . 7 . H3'' . . c17535_2lar 1 46 1 . . 1 1 7 7 DC H5 H . . . 1 1 7 7 DC H3' H . . . . . 5.89 4.43 7.89 . . . . . A . 7 DC H5 . . A . 7 DC H3' . . . 7 . H5 . . . . . 7 . H3'' . . c17535_2lar 1 47 1 . . 1 1 7 7 DC H1' H . . . 1 1 7 7 DC H2' H . . . . . 3.16 2.66 5.16 . . . . . A . 7 DC H1' . . A . 7 DC H2' . . . 7 . H1'' . . . . . 7 . H2''1 . . c17535_2lar 1 48 1 . . 1 1 7 7 DC H6 H . . . 1 1 7 7 DC H2' H . . . . . 2.56 2.46 4.56 . . . . . A . 7 DC H6 . . A . 7 DC H2' . . . 7 . H6 . . . . . 7 . H2''1 . . c17535_2lar 1 49 1 . . 1 1 7 7 DC H3' H . . . 1 1 7 7 DC H2' H . . . . . 2.52 2.47 4.52 . . . . . A . 7 DC H3' . . A . 7 DC H2' . . . 7 . H3'' . . . . . 7 . H2''1 . . c17535_2lar 1 50 1 . . 1 1 7 7 DC H1' H . . . 1 1 7 7 DC H2' H . . . . . 2.22 2.10 4.22 . . . . . A . 7 DC H1' . . A . 7 DC H2' . . . 7 . H1'' . . . . . 7 . H2''2 . . c17535_2lar 1 51 1 . . 1 1 7 7 DC H3' H . . . 1 1 7 7 DC H2' H . . . . . 3.48 3.20 5.48 . . . . . A . 7 DC H3' . . A . 7 DC H2' . . . 7 . H3'' . . . . . 7 . H2''2 . . c17535_2lar 1 52 1 . . 1 1 7 7 DC H1' H . . . 1 1 8 8 DT H6 H . . . . . 4.98 3.86 6.98 . . . . . A . 7 DC H1' . . A . 8 DT H6 . . . 7 . H1'' . . . . . 8 . H6 . . c17535_2lar 1 53 1 . . 1 1 7 7 DC H3' H . . . 1 1 8 8 DT H6 H . . . . . 4.27 3.45 6.27 . . . . . A . 7 DC H3' . . A . 8 DT H6 . . . 7 . H3'' . . . . . 8 . H6 . . c17535_2lar 1 54 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H1' H . . . . . 3.75 3.26 5.75 . . . . . A . 8 DT H6 . . A . 8 DT H1' . . . 8 . H6 . . . . . 8 . H1'' . . c17535_2lar 1 55 1 . . 1 1 8 8 DT H1' H . . . 1 1 8 8 DT H3' H . . . . . 4.21 3.58 6.21 . . . . . A . 8 DT H1' . . A . 8 DT H3' . . . 8 . H1'' . . . . . 8 . H3'' . . c17535_2lar 1 56 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H3' H . . . . . 2.99 2.78 4.99 . . . . . A . 8 DT H6 . . A . 8 DT H3' . . . 8 . H6 . . . . . 8 . H3'' . . c17535_2lar 1 57 1 . . 1 1 8 8 DT H1' H . . . 1 1 8 8 DT H2' H . . . . . 3.55 2.75 5.55 . . . . . A . 8 DT H1' . . A . 8 DT H2' . . . 8 . H1'' . . . . . 8 . H2''1 . . c17535_2lar 1 58 1 . . 1 1 8 8 DT H3' H . . . 1 1 8 8 DT H2' H . . . . . 2.42 2.36 4.42 . . . . . A . 8 DT H3' . . A . 8 DT H2' . . . 8 . H3'' . . . . . 8 . H2''1 . . c17535_2lar 1 59 1 . . 1 1 8 8 DT H1' H . . . 1 1 9 9 DC H6 H . . . . . 3.86 3.00 5.86 . . . . . A . 8 DT H1' . . A . 9 DC H6 . . . 8 . H1'' . . . . . 9 . H6 . . c17535_2lar 1 60 1 . . 1 1 9 9 DC H6 H . . . 1 1 9 9 DC H1' H . . . . . 3.70 3.19 5.70 . . . . . A . 9 DC H6 . . A . 9 DC H1' . . . 9 . H6 . . . . . 9 . H1'' . . c17535_2lar 1 61 1 . . 1 1 8 8 DT H6 H . . . 1 1 9 9 DC H5 H . . . . . 3.24 2.93 5.24 . . . . . A . 8 DT H6 . . A . 9 DC H5 . . . 8 . H6 . . . . . 9 . H5 . . c17535_2lar 1 62 1 . . 1 1 8 8 DT H2' H . . . 1 1 9 9 DC H5 H . . . . . 3.60 3.31 5.60 . . . . . A . 8 DT H2' . . A . 9 DC H5 . . . 8 . H2''1 . . . . . 9 . H5 . . c17535_2lar 1 63 1 . . 1 1 9 9 DC H1' H . . . 1 1 9 9 DC H3' H . . . . . 4.28 3.61 6.28 . . . . . A . 9 DC H1' . . A . 9 DC H3' . . . 9 . H1'' . . . . . 9 . H3'' . . c17535_2lar 1 64 1 . . 1 1 9 9 DC H1' H . . . 1 1 9 9 DC H2' H . . . . . 4.66 3.24 6.66 . . . . . A . 9 DC H1' . . A . 9 DC H2' . . . 9 . H1'' . . . . . 9 . H2''1 . . c17535_2lar 1 65 1 . . 1 1 9 9 DC H6 H . . . 1 1 9 9 DC H2' H . . . . . 2.29 2.17 4.29 . . . . . A . 9 DC H6 . . A . 9 DC H2' . . . 9 . H6 . . . . . 9 . H2''1 . . c17535_2lar 1 66 1 . . 1 1 9 9 DC H3' H . . . 1 1 9 9 DC H2' H . . . . . 2.50 2.33 4.50 . . . . . A . 9 DC H3' . . A . 9 DC H2' . . . 9 . H3'' . . . . . 9 . H2''1 . . c17535_2lar 1 67 1 . . 1 1 9 9 DC H1' H . . . 1 1 9 9 DC H2' H . . . . . 2.23 2.13 4.23 . . . . . A . 9 DC H1' . . A . 9 DC H2' . . . 9 . H1'' . . . . . 9 . H2''2 . . c17535_2lar 1 68 1 . . 1 1 9 9 DC H3' H . . . 1 1 9 9 DC H2' H . . . . . 4.51 3.25 6.51 . . . . . A . 9 DC H3' . . A . 9 DC H2' . . . 9 . H3'' . . . . . 9 . H2''2 . . c17535_2lar 1 69 1 . . 2 2 1 1 G H8 H . . . 2 2 1 1 G H1' H . . . . . 3.43 3.27 5.43 . . . . . B . 10 G H8 . . B . 10 G H1' . . . 10 . H8 . . . . . 10 . H1'' . . c17535_2lar 1 70 1 . . 2 2 1 1 G H1' H . . . 2 2 1 1 G H3' H . . . . . 4.11 3.59 6.11 . . . . . B . 10 G H1' . . B . 10 G H3' . . . 10 . H1'' . . . . . 10 . H3'' . . c17535_2lar 1 71 1 . . 2 2 1 1 G H8 H . . . 2 2 1 1 G H3' H . . . . . 3.00 2.92 5.00 . . . . . B . 10 G H8 . . B . 10 G H3' . . . 10 . H8 . . . . . 10 . H3'' . . c17535_2lar 1 72 1 . . 2 2 1 1 G H1' H . . . 2 2 1 1 G H2' H . . . . . 2.66 2.59 4.66 . . . . . B . 10 G H1' . . B . 10 G H2' . . . 10 . H1'' . . . . . 10 . H2''1 . . c17535_2lar 1 73 1 . . 2 2 1 1 G H8 H . . . 2 2 1 1 G H2' H . . . . . 2.94 2.83 4.94 . . . . . B . 10 G H8 . . B . 10 G H2' . . . 10 . H8 . . . . . 10 . H2''1 . . c17535_2lar 1 74 1 . . 2 2 1 1 G H1' H . . . 2 2 2 2 A H8 H . . . . . 3.60 3.38 5.60 . . . . . B . 10 G H1' . . B . 11 A H8 . . . 10 . H1'' . . . . . 11 . H8 . . c17535_2lar 1 75 1 . . 2 2 2 2 A H8 H . . . 2 2 2 2 A H1' H . . . . . 3.36 3.21 5.36 . . . . . B . 11 A H8 . . B . 11 A H1' . . . 11 . H8 . . . . . 11 . H1'' . . c17535_2lar 1 76 1 . . 1 1 9 9 DC H1' H . . . 2 2 2 2 A H2 H . . . . . 3.89 3.52 5.89 . . . . . A . 9 DC H1' . . B . 11 A H2 . . . 9 . H1'' . . . . . 11 . H2 . . c17535_2lar 1 77 1 . . 2 2 2 2 A H1' H . . . 2 2 2 2 A H2 H . . . . . 4.74 3.95 6.74 . . . . . B . 11 A H1' . . B . 11 A H2 . . . 11 . H1'' . . . . . 11 . H2 . . c17535_2lar 1 78 1 . . 2 2 2 2 A H1' H . . . 2 2 2 2 A H3' H . . . . . 4.32 3.80 6.32 . . . . . B . 11 A H1' . . B . 11 A H3' . . . 11 . H1'' . . . . . 11 . H3'' . . c17535_2lar 1 79 1 . . 2 2 2 2 A H8 H . . . 2 2 2 2 A H3' H . . . . . 2.66 2.54 4.66 . . . . . B . 11 A H8 . . B . 11 A H3' . . . 11 . H8 . . . . . 11 . H3'' . . c17535_2lar 1 80 1 . . 2 2 2 2 A H2 H . . . 2 2 3 3 G H1' H . . . . . 3.13 3.03 5.13 . . . . . B . 11 A H2 . . B . 12 G H1' . . . 11 . H2 . . . . . 12 . H1'' . . c17535_2lar 1 81 1 . . 2 2 2 2 A H1' H . . . 2 2 3 3 G H8 H . . . . . 4.29 3.57 6.29 . . . . . B . 11 A H1' . . B . 12 G H8 . . . 11 . H1'' . . . . . 12 . H8 . . c17535_2lar 1 82 1 . . 2 2 2 2 A H3' H . . . 2 2 3 3 G H8 H . . . . . 3.36 3.03 5.36 . . . . . B . 11 A H3' . . B . 12 G H8 . . . 11 . H3'' . . . . . 12 . H8 . . c17535_2lar 1 83 1 . . 2 2 3 3 G H1' H . . . 2 2 3 3 G H8 H . . . . . 3.32 3.20 5.32 . . . . . B . 12 G H1' . . B . 12 G H8 . . . 12 . H1'' . . . . . 12 . H8 . . c17535_2lar 1 84 1 . . 2 2 3 3 G H1' H . . . 2 2 3 3 G H3' H . . . . . 3.47 3.27 5.47 . . . . . B . 12 G H1' . . B . 12 G H3' . . . 12 . H1'' . . . . . 12 . H3'' . . c17535_2lar 1 85 1 . . 2 2 3 3 G H8 H . . . 2 2 3 3 G H3' H . . . . . 2.77 2.60 4.77 . . . . . B . 12 G H8 . . B . 12 G H3' . . . 12 . H8 . . . . . 12 . H3'' . . c17535_2lar 1 86 1 . . 2 2 3 3 G H1' H . . . 2 2 3 3 G H2' H . . . . . 2.69 2.54 4.69 . . . . . B . 12 G H1' . . B . 12 G H2' . . . 12 . H1'' . . . . . 12 . H2''1 . . c17535_2lar 1 87 1 . . 2 2 3 3 G H8 H . . . 2 2 3 3 G H2' H . . . . . 3.59 3.32 5.59 . . . . . B . 12 G H8 . . B . 12 G H2' . . . 12 . H8 . . . . . 12 . H2''1 . . c17535_2lar 1 88 1 . . 2 2 3 3 G H2' H . . . 2 2 4 4 C H1' H . . . . . 3.86 3.56 5.86 . . . . . B . 12 G H2' . . B . 13 C H1' . . . 12 . H2''1 . . . . . 13 . H1'' . . c17535_2lar 1 89 1 . . 2 2 3 3 G H1' H . . . 2 2 4 4 C H6 H . . . . . 4.44 3.62 6.44 . . . . . B . 12 G H1' . . B . 13 C H6 . . . 12 . H1'' . . . . . 13 . H6 . . c17535_2lar 1 90 1 . . 2 2 4 4 C H1' H . . . 2 2 4 4 C H6 H . . . . . 3.50 3.32 5.50 . . . . . B . 13 C H1' . . B . 13 C H6 . . . 13 . H1'' . . . . . 13 . H6 . . c17535_2lar 1 91 1 . . 2 2 3 3 G H8 H . . . 2 2 4 4 C H5 H . . . . . 4.37 3.65 6.37 . . . . . B . 12 G H8 . . B . 13 C H5 . . . 12 . H8 . . . . . 13 . H5 . . c17535_2lar 1 92 1 . . 2 2 3 3 G H2' H . . . 2 2 4 4 C H5 H . . . . . 3.56 3.13 5.56 . . . . . B . 12 G H2' . . B . 13 C H5 . . . 12 . H2''1 . . . . . 13 . H5 . . c17535_2lar 1 93 1 . . 2 2 4 4 C H1' H . . . 2 2 5 5 A H8 H . . . . . 3.69 3.41 5.69 . . . . . B . 13 C H1' . . B . 14 A H8 . . . 13 . H1'' . . . . . 14 . H8 . . c17535_2lar 1 94 1 . . 2 2 5 5 A H8 H . . . 2 2 5 5 A H1' H . . . . . 3.43 3.27 5.43 . . . . . B . 14 A H8 . . B . 14 A H1' . . . 14 . H8 . . . . . 14 . H1'' . . c17535_2lar 1 95 1 . . 2 2 5 5 A H1' H . . . 2 2 5 5 A H2 H . . . . . 5.01 4.11 7.01 . . . . . B . 14 A H1' . . B . 14 A H2 . . . 14 . H1'' . . . . . 14 . H2 . . c17535_2lar 1 96 1 . . 2 2 5 5 A H1' H . . . 2 2 5 5 A H3' H . . . . . 3.91 3.48 5.91 . . . . . B . 14 A H1' . . B . 14 A H3' . . . 14 . H1'' . . . . . 14 . H3'' . . c17535_2lar 1 97 1 . . 2 2 5 5 A H1' H . . . 2 2 5 5 A H2' H . . . . . 2.59 2.54 4.59 . . . . . B . 14 A H1' . . B . 14 A H2' . . . 14 . H1'' . . . . . 14 . H2''1 . . c17535_2lar 1 98 1 . . 2 2 5 5 A H2 H . . . 2 2 5 5 A H2' H . . . . . 5.34 4.09 7.34 . . . . . B . 14 A H2 . . B . 14 A H2' . . . 14 . H2 . . . . . 14 . H2''1 . . c17535_2lar 1 99 1 . . 2 2 5 5 A H2 H . . . 2 2 6 6 C H1' H . . . . . 3.26 3.15 5.26 . . . . . B . 14 A H2 . . B . 15 C H1' . . . 14 . H2 . . . . . 15 . H1'' . . c17535_2lar 1 100 1 . . 2 2 5 5 A H1' H . . . 2 2 6 6 C H6 H . . . . . 6.24 4.78 8.24 . . . . . B . 14 A H1' . . B . 15 C H6 . . . 14 . H1'' . . . . . 15 . H6 . . c17535_2lar 1 101 1 . . 2 2 5 5 A H3' H . . . 2 2 6 6 C H6 H . . . . . 3.20 2.97 5.20 . . . . . B . 14 A H3' . . B . 15 C H6 . . . 14 . H3'' . . . . . 15 . H6 . . c17535_2lar 1 102 1 . . 2 2 6 6 C H1' H . . . 2 2 6 6 C H6 H . . . . . 3.40 3.16 5.40 . . . . . B . 15 C H1' . . B . 15 C H6 . . . 15 . H1'' . . . . . 15 . H6 . . c17535_2lar 1 103 1 . . 2 2 5 5 A H8 H . . . 2 2 6 6 C H5 H . . . . . 3.88 3.42 5.88 . . . . . B . 14 A H8 . . B . 15 C H5 . . . 14 . H8 . . . . . 15 . H5 . . c17535_2lar 1 104 1 . . 2 2 5 5 A H3' H . . . 2 2 6 6 C H5 H . . . . . 4.01 3.54 6.01 . . . . . B . 14 A H3' . . B . 15 C H5 . . . 14 . H3'' . . . . . 15 . H5 . . c17535_2lar 1 105 1 . . 2 2 5 5 A H2' H . . . 2 2 6 6 C H5 H . . . . . 4.31 3.57 6.31 . . . . . B . 14 A H2' . . B . 15 C H5 . . . 14 . H2''1 . . . . . 15 . H5 . . c17535_2lar 1 106 1 . . 2 2 6 6 C H1' H . . . 2 2 6 6 C H3' H . . . . . 4.13 3.65 6.13 . . . . . B . 15 C H1' . . B . 15 C H3' . . . 15 . H1'' . . . . . 15 . H3'' . . c17535_2lar 1 107 1 . . 2 2 6 6 C H5 H . . . 2 2 6 6 C H3' H . . . . . 4.72 3.69 6.72 . . . . . B . 15 C H5 . . B . 15 C H3' . . . 15 . H5 . . . . . 15 . H3'' . . c17535_2lar 1 108 1 . . 2 2 6 6 C H1' H . . . 2 2 6 6 C H2' H . . . . . 2.60 2.56 4.60 . . . . . B . 15 C H1' . . B . 15 C H2' . . . 15 . H1'' . . . . . 15 . H2''1 . . c17535_2lar 1 109 1 . . 2 2 6 6 C H6 H . . . 2 2 6 6 C H2' H . . . . . 3.95 3.34 5.95 . . . . . B . 15 C H6 . . B . 15 C H2' . . . 15 . H6 . . . . . 15 . H2''1 . . c17535_2lar 1 110 1 . . 2 2 6 6 C H1' H . . . 2 2 7 7 C H6 H . . . . . 5.74 4.22 7.74 . . . . . B . 15 C H1' . . B . 16 C H6 . . . 15 . H1'' . . . . . 16 . H6 . . c17535_2lar 1 111 1 . . 2 2 7 7 C H6 H . . . 2 2 7 7 C H1' H . . . . . 3.76 3.37 5.76 . . . . . B . 16 C H6 . . B . 16 C H1' . . . 16 . H6 . . . . . 16 . H1'' . . c17535_2lar 1 112 1 . . 2 2 6 6 C H6 H . . . 2 2 7 7 C H5 H . . . . . 4.67 3.80 6.67 . . . . . B . 15 C H6 . . B . 16 C H5 . . . 15 . H6 . . . . . 16 . H5 . . c17535_2lar 1 113 1 . . 2 2 6 6 C H5 H . . . 2 2 7 7 C H5 H . . . . . 4.04 3.75 6.04 . . . . . B . 15 C H5 . . B . 16 C H5 . . . 15 . H5 . . . . . 16 . H5 . . c17535_2lar 1 114 1 . . 2 2 6 6 C H3' H . . . 2 2 7 7 C H5 H . . . . . 3.67 3.30 5.67 . . . . . B . 15 C H3' . . B . 16 C H5 . . . 15 . H3'' . . . . . 16 . H5 . . c17535_2lar 1 115 1 . . 2 2 7 7 C H1' H . . . 2 2 7 7 C H3' H . . . . . 3.35 3.17 5.35 . . . . . B . 16 C H1' . . B . 16 C H3' . . . 16 . H1'' . . . . . 16 . H3'' . . c17535_2lar 1 116 1 . . 2 2 7 7 C H6 H . . . 2 2 7 7 C H3' H . . . . . 2.32 2.28 4.32 . . . . . B . 16 C H6 . . B . 16 C H3' . . . 16 . H6 . . . . . 16 . H3'' . . c17535_2lar 1 117 1 . . 2 2 7 7 C H5 H . . . 2 2 7 7 C H3' H . . . . . 5.73 4.40 7.73 . . . . . B . 16 C H5 . . B . 16 C H3' . . . 16 . H5 . . . . . 16 . H3'' . . c17535_2lar 1 118 1 . . 2 2 7 7 C H1' H . . . 2 2 8 8 A H8 H . . . . . 5.15 3.92 7.15 . . . . . B . 16 C H1' . . B . 17 A H8 . . . 16 . H1'' . . . . . 17 . H8 . . c17535_2lar 1 119 1 . . 2 2 7 7 C H3' H . . . 2 2 8 8 A H8 H . . . . . 2.69 2.58 4.69 . . . . . B . 16 C H3' . . B . 17 A H8 . . . 16 . H3'' . . . . . 17 . H8 . . c17535_2lar 1 120 1 . . 2 2 8 8 A H8 H . . . 2 2 8 8 A H1' H . . . . . 3.34 3.19 5.34 . . . . . B . 17 A H8 . . B . 17 A H1' . . . 17 . H8 . . . . . 17 . H1'' . . c17535_2lar 1 121 1 . . 2 2 8 8 A H1' H . . . 2 2 8 8 A H2 H . . . . . 4.28 3.61 6.28 . . . . . B . 17 A H1' . . B . 17 A H2 . . . 17 . H1'' . . . . . 17 . H2 . . c17535_2lar 1 122 1 . . 2 2 8 8 A H8 H . . . 2 2 8 8 A H3' H . . . . . 2.49 2.43 4.49 . . . . . B . 17 A H8 . . B . 17 A H3' . . . 17 . H8 . . . . . 17 . H3'' . . c17535_2lar 1 123 1 . . 2 2 8 8 A H2 H . . . 2 2 9 9 U H1' H . . . . . 4.16 3.77 6.16 . . . . . B . 17 A H2 . . B . 18 U H1' . . . 17 . H2 . . . . . 18 . H1'' . . c17535_2lar 1 124 1 . . 2 2 8 8 A H1' H . . . 2 2 9 9 U H6 H . . . . . 5.21 4.18 7.21 . . . . . B . 17 A H1' . . B . 18 U H6 . . . 17 . H1'' . . . . . 18 . H6 . . c17535_2lar 1 125 1 . . 2 2 8 8 A H3' H . . . 2 2 9 9 U H6 H . . . . . 3.50 3.17 5.50 . . . . . B . 17 A H3' . . B . 18 U H6 . . . 17 . H3'' . . . . . 18 . H6 . . c17535_2lar 1 126 1 . . 2 2 9 9 U H1' H . . . 2 2 9 9 U H6 H . . . . . 4.07 3.56 6.07 . . . . . B . 18 U H1' . . B . 18 U H6 . . . 18 . H1'' . . . . . 18 . H6 . . c17535_2lar 1 127 1 . . 2 2 8 8 A H8 H . . . 2 2 9 9 U H5 H . . . . . 3.93 3.48 5.93 . . . . . B . 17 A H8 . . B . 18 U H5 . . . 17 . H8 . . . . . 18 . H5 . . c17535_2lar 1 128 1 . . 2 2 8 8 A H3' H . . . 2 2 9 9 U H5 H . . . . . 4.49 3.75 6.49 . . . . . B . 17 A H3' . . B . 18 U H5 . . . 17 . H3'' . . . . . 18 . H5 . . c17535_2lar 1 129 1 . . 2 2 9 9 U H6 H . . . 2 2 9 9 U H5 H . . . . . 2.62 2.45 4.62 . . . . . B . 18 U H6 . . B . 18 U H5 . . . 18 . H6 . . . . . 18 . H5 . . c17535_2lar 1 130 1 . . 2 2 9 9 U H1' H . . . 2 2 9 9 U H3' H . . . . . 3.21 3.10 5.21 . . . . . B . 18 U H1' . . B . 18 U H3' . . . 18 . H1'' . . . . . 18 . H3'' . . c17535_2lar 1 131 1 . . 2 2 9 9 U H6 H . . . 2 2 9 9 U H3' H . . . . . 2.58 2.47 4.58 . . . . . B . 18 U H6 . . B . 18 U H3' . . . 18 . H6 . . . . . 18 . H3'' . . c17535_2lar 1 132 1 . . 2 2 9 9 U H5 H . . . 2 2 9 9 U H3' H . . . . . 5.08 3.75 7.08 . . . . . B . 18 U H5 . . B . 18 U H3' . . . 18 . H5 . . . . . 18 . H3'' . . c17535_2lar 1 133 1 . . 2 2 9 9 U H1' H . . . 2 2 9 9 U H2' H . . . . . 2.89 2.84 4.89 . . . . . B . 18 U H1' . . B . 18 U H2' . . . 18 . H1'' . . . . . 18 . H2''1 . . c17535_2lar 1 134 1 . . 2 2 9 9 U H6 H . . . 2 2 9 9 U H2' H . . . . . 3.09 2.90 5.09 . . . . . B . 18 U H6 . . B . 18 U H2' . . . 18 . H6 . . . . . 18 . H2''1 . . c17535_2lar 1 135 1 . . 1 1 1 1 DA H1' H . . . 1 1 1 1 DA H4' H . . . . . 3.51 3.30 5.51 . . . . . A . 1 DA H1' . . A . 1 DA H4' . . . 1 . H1'' . . . . . 1 . H4'' . . c17535_2lar 1 136 1 . . 1 1 1 1 DA H8 H . . . 1 1 1 1 DA H4' H . . . . . 5.19 4.08 7.19 . . . . . A . 1 DA H8 . . A . 1 DA H4' . . . 1 . H8 . . . . . 1 . H4'' . . c17535_2lar 1 137 1 . . 1 1 2 2 DT H1' H . . . 1 1 2 2 DT H4' H . . . . . 2.96 2.88 4.96 . . . . . A . 2 DT H1' . . A . 2 DT H4' . . . 2 . H1'' . . . . . 2 . H4'' . . c17535_2lar 1 138 1 . . 1 1 2 2 DT H3' H . . . 1 1 2 2 DT H4' H . . . . . 2.77 2.67 4.77 . . . . . A . 2 DT H3' . . A . 2 DT H4' . . . 2 . H3'' . . . . . 2 . H4'' . . c17535_2lar 1 139 1 . . 1 1 3 3 DG H1' H . . . 1 1 3 3 DG H4' H . . . . . 3.03 2.89 5.03 . . . . . A . 3 DG H1' . . A . 3 DG H4' . . . 3 . H1'' . . . . . 3 . H4'' . . c17535_2lar 1 140 1 . . 1 1 3 3 DG H8 H . . . 1 1 3 3 DG H4' H . . . . . 4.01 3.59 6.01 . . . . . A . 3 DG H8 . . A . 3 DG H4' . . . 3 . H8 . . . . . 3 . H4'' . . c17535_2lar 1 141 1 . . 1 1 4 4 DG H4' H . . . 1 1 4 4 DG H1' H . . . . . 3.47 3.15 5.47 . . . . . A . 4 DG H4' . . A . 4 DG H1' . . . 4 . H4'' . . . . . 4 . H1'' . . c17535_2lar 1 142 1 . . 1 1 4 4 DG H8 H . . . 1 1 4 4 DG H4' H . . . . . 4.23 3.71 6.23 . . . . . A . 4 DG H8 . . A . 4 DG H4' . . . 4 . H8 . . . . . 4 . H4'' . . c17535_2lar 1 143 1 . . 1 1 5 5 DT H6 H . . . 1 1 4 4 DG H4' H . . . . . 4.83 3.66 6.83 . . . . . A . 5 DT H6 . . A . 4 DG H4' . . . 5 . H6 . . . . . 4 . H4'' . . c17535_2lar 1 144 1 . . 1 1 4 4 DG H2' H . . . 1 1 5 5 DT H6 H . . . . . 2.72 2.57 4.72 . . . . . A . 4 DG H2' . . A . 5 DT H6 . . . 4 . H2''2 . . . . . 5 . H6 . . c17535_2lar 1 145 1 . . 1 1 5 5 DT H3' H . . . 1 1 5 5 DT H1' H . . . . . 4.20 3.65 6.20 . . . . . A . 5 DT H3' . . A . 5 DT H1' . . . 5 . H3'' . . . . . 5 . H1'' . . c17535_2lar 1 146 1 . . 1 1 6 6 BGR H8 H . . . 1 1 6 6 BGR H4' H . . . . . 3.89 3.59 5.89 . . . . . A . 6 BGR H8 . . A . 6 BGR H4' . . . 6 . H8 . . . . . 6 . H4'' . . c17535_2lar 1 147 1 . . 1 1 7 7 DC H1' H . . . 1 1 7 7 DC H4' H . . . . . 2.93 2.85 4.93 . . . . . A . 7 DC H1' . . A . 7 DC H4' . . . 7 . H1'' . . . . . 7 . H4'' . . c17535_2lar 1 148 1 . . 1 1 7 7 DC H5 H . . . 1 1 6 6 BGR H1' H . . . . . 5.68 4.34 7.68 . . . . . A . 7 DC H5 . . A . 6 BGR H1' . . . 7 . H5 . . . . . 6 . H1'' . . c17535_2lar 1 149 1 . . 1 1 6 6 BGR H4' H . . . 1 1 6 6 BGR H1' H . . . . . 3.10 2.85 5.10 . . . . . A . 6 BGR H4' . . A . 6 BGR H1' . . . 6 . H4'' . . . . . 6 . H1'' . . c17535_2lar 1 150 1 . . 1 1 8 8 DT H1' H . . . 1 1 8 8 DT H4' H . . . . . 2.78 2.68 4.78 . . . . . A . 8 DT H1' . . A . 8 DT H4' . . . 8 . H1'' . . . . . 8 . H4'' . . c17535_2lar 1 151 1 . . 1 1 8 8 DT H6 H . . . 1 1 8 8 DT H4' H . . . . . 3.74 3.40 5.74 . . . . . A . 8 DT H6 . . A . 8 DT H4' . . . 8 . H6 . . . . . 8 . H4'' . . c17535_2lar 1 152 1 . . 1 1 9 9 DC H1' H . . . 1 1 9 9 DC H4' H . . . . . 2.98 2.88 4.98 . . . . . A . 9 DC H1' . . A . 9 DC H4' . . . 9 . H1'' . . . . . 9 . H4'' . . c17535_2lar 1 153 1 . . 1 1 9 9 DC H2' H . . . 1 1 9 9 DC H4' H . . . . . 5.40 4.36 7.40 . . . . . A . 9 DC H2' . . A . 9 DC H4' . . . 9 . H2''1 . . . . . 9 . H4'' . . c17535_2lar 1 154 1 . . 1 1 9 9 DC H2' H . . . 1 1 9 9 DC H4' H . . . . . 3.24 2.93 5.24 . . . . . A . 9 DC H2' . . A . 9 DC H4' . . . 9 . H2''2 . . . . . 9 . H4'' . . c17535_2lar 1 155 1 . . 2 2 1 1 G H1' H . . . 2 2 1 1 G H4' H . . . . . 3.39 3.24 5.39 . . . . . B . 10 G H1' . . B . 10 G H4' . . . 10 . H1'' . . . . . 10 . H4'' . . c17535_2lar 1 156 1 . . 2 2 1 1 G H8 H . . . 2 2 1 1 G H4' H . . . . . 4.10 3.71 6.10 . . . . . B . 10 G H8 . . B . 10 G H4' . . . 10 . H8 . . . . . 10 . H4'' . . c17535_2lar 1 157 1 . . 2 2 2 2 A H1' H . . . 2 2 2 2 A H4' H . . . . . 3.26 3.14 5.26 . . . . . B . 11 A H1' . . B . 11 A H4' . . . 11 . H1'' . . . . . 11 . H4'' . . c17535_2lar 1 158 1 . . 2 2 3 3 G H1' H . . . 2 2 3 3 G H4' H . . . . . 3.18 3.00 5.18 . . . . . B . 12 G H1' . . B . 12 G H4' . . . 12 . H1'' . . . . . 12 . H4'' . . c17535_2lar 1 159 1 . . 2 2 3 3 G H8 H . . . 2 2 3 3 G H4' H . . . . . 4.00 2.90 5.00 . . . . . B . 12 G H8 . . B . 12 G H4' . . . 12 . H8 . . . . . 12 . H4'' . . c17535_2lar 1 160 1 . . 2 2 2 2 A H1' H . . . 2 2 2 2 A H2' H . . . . . 2.59 2.51 4.59 . . . . . B . 11 A H1' . . B . 11 A H2' . . . 11 . H1'' . . . . . 11 . H2''1 . . c17535_2lar 1 161 1 . . 2 2 3 3 G H8 H . . . 2 2 2 2 A H2' H . . . . . 2.37 2.30 4.37 . . . . . B . 12 G H8 . . B . 11 A H2' . . . 12 . H8 . . . . . 11 . H2''1 . . c17535_2lar 1 162 1 . . 2 2 4 4 C H1' H . . . 2 2 4 4 C H4' H . . . . . 3.36 3.17 5.36 . . . . . B . 13 C H1' . . B . 13 C H4' . . . 13 . H1'' . . . . . 13 . H4'' . . c17535_2lar 1 163 1 . . 2 2 4 4 C H5 H . . . 2 2 4 4 C H2' H . . . . . 4.60 3.68 6.60 . . . . . B . 13 C H5 . . B . 13 C H2' . . . 13 . H5 . . . . . 13 . H2''1 . . c17535_2lar 1 164 1 . . 2 2 5 5 A H1' H . . . 2 2 4 4 C H2' H . . . . . 3.83 3.49 5.83 . . . . . B . 14 A H1' . . B . 13 C H2' . . . 14 . H1'' . . . . . 13 . H2''1 . . c17535_2lar 1 165 1 . . 2 2 5 5 A H1' H . . . 2 2 5 5 A H4' H . . . . . 3.40 3.20 5.40 . . . . . B . 14 A H1' . . B . 14 A H4' . . . 14 . H1'' . . . . . 14 . H4'' . . c17535_2lar 1 166 1 . . 2 2 6 6 C H1' H . . . 2 2 6 6 C H4' H . . . . . 3.45 3.28 5.45 . . . . . B . 15 C H1' . . B . 15 C H4' . . . 15 . H1'' . . . . . 15 . H4'' . . c17535_2lar 1 167 1 . . 2 2 7 7 C H1' H . . . 2 2 7 7 C H4' H . . . . . 3.75 3.50 5.75 . . . . . B . 16 C H1' . . B . 16 C H4' . . . 16 . H1'' . . . . . 16 . H4'' . . c17535_2lar 1 168 1 . . 2 2 8 8 A H1' H . . . 2 2 8 8 A H4' H . . . . . 3.32 3.17 5.32 . . . . . B . 17 A H1' . . B . 17 A H4' . . . 17 . H1'' . . . . . 17 . H4'' . . c17535_2lar 1 169 1 . . 2 2 8 8 A H8 H . . . 2 2 8 8 A H4' H . . . . . 4.12 3.37 6.12 . . . . . B . 17 A H8 . . B . 17 A H4' . . . 17 . H8 . . . . . 17 . H4'' . . c17535_2lar 1 170 1 . . 2 2 9 9 U H1' H . . . 2 2 9 9 U H4' H . . . . . 4.02 3.64 6.02 . . . . . B . 18 U H1' . . B . 18 U H4' . . . 18 . H1'' . . . . . 18 . H4'' . . c17535_2lar 1 171 1 . . 1 1 8 8 DT H3' H . . . 1 1 8 8 DT H2'' H . . . . . 4.13 2.65 6.13 . . . . . A . 8 DT H3' . . A . 8 DT H2'' . . . 8 . H3'' . . . . . 8 . H2''2 . . c17535_2lar 1 172 1 . . 2 2 4 4 C H5 H . . . 2 2 4 4 C H3' H . . . . . 4.63 3.71 6.63 . . . . . B . 13 C H5 . . B . 13 C H3' . . . 13 . H5 . . . . . 13 . H3'' . . c17535_2lar 1 173 1 . . 2 2 9 9 U H5 H . . . 2 2 8 8 A H2' H . . . . . 3.67 3.13 5.67 . . . . . B . 18 U H5 . . B . 17 A H2' . . . 18 . H5 . . . . . 17 . H2''1 . . c17535_2lar 1 174 1 . . 1 1 1 1 DA H2 H . . . 2 2 9 9 U H1' H . . . . . 5.00 3.00 6.00 . . . . . A . 1 DA H2 . . B . 18 U H1' . . . 1 . H2 . . . . . 18 . H1'' . . c17535_2lar 1 175 1 . . 2 2 2 2 A H1' H . . . 2 2 2 2 A H2' H . . . . . 4.00 2.00 4.50 . . . . . B . 11 A H1' . . B . 11 A H2' . . . 11 . H1'' . . . . . 11 . H2''1 . . c17535_2lar 1 176 1 . . 2 2 3 3 G H1' H . . . 2 2 2 2 A H2' H . . . . . 4.50 2.50 5.50 . . . . . B . 12 G H1' . . B . 11 A H2' . . . 12 . H1'' . . . . . 11 . H2''1 . . c17535_2lar 1 177 1 . . 1 1 9 9 DC H5 H . . . 1 1 8 8 DT H2'' H . . . . . 5.00 3.00 5.50 . . . . . A . 9 DC H5 . . A . 8 DT H2'' . . . 9 . H5 . . . . . 8 . H2''2 . . c17535_2lar 1 178 1 . . 1 1 8 8 DT H2' H . . . 1 1 9 9 DC H5 H . . . . . 5.50 3.50 6.00 . . . . . A . 8 DT H2' . . A . 9 DC H5 . . . 8 . H2''1 . . . . . 9 . H5 . . c17535_2lar 1 179 1 . . 1 1 3 3 DG O6 O . . . 2 2 7 7 C N4 N . . . . . 3.01 2.81 3.51 . . . . . A . 3 DG O6 . . B . 16 C N4 . . . 3 . O6 . . . . . 16 . N4 . . c17535_2lar 1 180 1 . . 1 1 3 3 DG N1 N . . . 2 2 7 7 C N3 N . . . . . 3.05 2.85 3.55 . . . . . A . 3 DG N1 . . B . 16 C N3 . . . 3 . N1 . . . . . 16 . N3 . . c17535_2lar 1 181 1 . . 1 1 3 3 DG N2 N . . . 2 2 7 7 C O2 O . . . . . 2.96 2.76 3.46 . . . . . A . 3 DG N2 . . B . 16 C O2 . . . 3 . N2 . . . . . 16 . O2 . . c17535_2lar 1 182 1 . . 1 1 4 4 DG O6 O . . . 2 2 6 6 C N4 N . . . . . 3.01 2.81 3.51 . . . . . A . 4 DG O6 . . B . 15 C N4 . . . 4 . O6 . . . . . 15 . N4 . . c17535_2lar 1 183 1 . . 1 1 4 4 DG N1 N . . . 2 2 6 6 C N3 N . . . . . 3.05 2.85 3.55 . . . . . A . 4 DG N1 . . B . 15 C N3 . . . 4 . N1 . . . . . 15 . N3 . . c17535_2lar 1 184 1 . . 1 1 4 4 DG N2 N . . . 2 2 6 6 C O2 O . . . . . 2.96 2.76 3.46 . . . . . A . 4 DG N2 . . B . 15 C O2 . . . 4 . N2 . . . . . 15 . O2 . . c17535_2lar 1 185 1 . . 1 1 6 6 BGR O6 O . . . 2 2 4 4 C N4 N . . . . . 3.01 2.81 3.51 . . . . . A . 6 BGR O6 . . B . 13 C N4 . . . 6 . O6 . . . . . 13 . N4 . . c17535_2lar 1 186 1 . . 1 1 6 6 BGR N1 N . . . 2 2 4 4 C N3 N . . . . . 3.05 2.85 3.55 . . . . . A . 6 BGR N1 . . B . 13 C N3 . . . 6 . N1 . . . . . 13 . N3 . . c17535_2lar 1 187 1 . . 1 1 6 6 BGR N2 N . . . 2 2 4 4 C O2 O . . . . . 2.96 2.76 3.46 . . . . . A . 6 BGR N2 . . B . 13 C O2 . . . 6 . N2 . . . . . 13 . O2 . . c17535_2lar 1 188 1 . . 2 2 3 3 G O6 O . . . 1 1 7 7 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . B . 12 G O6 . . A . 7 DC N4 . . . 12 . O6 . . . . . 7 . N4 . . c17535_2lar 1 189 1 . . 2 2 3 3 G N1 N . . . 1 1 7 7 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . B . 12 G N1 . . A . 7 DC N3 . . . 12 . N1 . . . . . 7 . N3 . . c17535_2lar 1 190 1 . . 2 2 3 3 G N2 N . . . 1 1 7 7 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . B . 12 G N2 . . A . 7 DC O2 . . . 12 . N2 . . . . . 7 . O2 . . c17535_2lar 1 191 1 . . 2 2 1 1 G O6 O . . . 1 1 9 9 DC N4 N . . . . . 3.01 2.81 3.51 . . . . . B . 10 G O6 . . A . 9 DC N4 . . . 10 . O6 . . . . . 9 . N4 . . c17535_2lar 1 192 1 . . 2 2 1 1 G N1 N . . . 1 1 9 9 DC N3 N . . . . . 3.05 2.85 3.55 . . . . . B . 10 G N1 . . A . 9 DC N3 . . . 10 . N1 . . . . . 9 . N3 . . c17535_2lar 1 193 1 . . 2 2 1 1 G N2 N . . . 1 1 9 9 DC O2 O . . . . . 2.96 2.76 3.46 . . . . . B . 10 G N2 . . A . 9 DC O2 . . . 10 . N2 . . . . . 9 . O2 . . c17535_2lar 1 194 1 . . 1 1 1 1 DA N1 N . . . 2 2 9 9 U N3 N . . . . . 2.92 2.72 3.42 . . . . . A . 1 DA N1 . . B . 18 U N3 . . . 1 . N1 . . . . . 18 . N3 . . c17535_2lar 1 195 1 . . 1 1 1 1 DA N6 N . . . 2 2 9 9 U O4 O . . . . . 3.05 2.85 3.55 . . . . . A . 1 DA N6 . . B . 18 U O4 . . . 1 . N6 . . . . . 18 . O4 . . c17535_2lar 1 196 1 . . 2 2 8 8 A N1 N . . . 1 1 2 2 DT N3 N . . . . . 2.92 2.72 3.42 . . . . . B . 17 A N1 . . A . 2 DT N3 . . . 17 . N1 . . . . . 2 . N3 . . c17535_2lar 1 197 1 . . 2 2 8 8 A N6 N . . . 1 1 2 2 DT O4 O . . . . . 3.05 2.85 3.55 . . . . . B . 17 A N6 . . A . 2 DT O4 . . . 17 . N6 . . . . . 2 . O4 . . c17535_2lar 1 198 1 . . 2 2 2 2 A N1 N . . . 1 1 8 8 DT N3 N . . . . . 2.92 2.72 3.42 . . . . . B . 11 A N1 . . A . 8 DT N3 . . . 11 . N1 . . . . . 8 . N3 . . c17535_2lar 1 199 1 . . 2 2 2 2 A N6 N . . . 1 1 8 8 DT O4 O . . . . . 3.05 2.85 3.55 . . . . . B . 11 A N6 . . A . 8 DT O4 . . . 11 . N6 . . . . . 8 . O4 . . c17535_2lar 1 200 1 . . 2 2 5 5 A N1 N . . . 1 1 5 5 DT N3 N . . . . . 3.05 2.85 3.55 . . . . . B . 14 A N1 . . A . 5 DT N3 . . . 14 . N1 . . . . . 5 . N3 . . c17535_2lar 1 201 1 . . 2 2 5 5 A N6 N . . . 1 1 5 5 DT O4 O . . . . . 3.05 2.85 3.55 . . . . . B . 14 A N6 . . A . 5 DT O4 . . . 14 . N6 . . . . . 5 . O4 . . c17535_2lar 1 202 1 . . 1 1 8 8 DT H3 H . . . 2 2 3 3 G H1 H . . . . . 5.00 2.00 6.00 . . . . . A . 8 DT H3 . . B . 12 G H1 . . . 8 . H3 . . . . . 12 . H1 . . c17535_2lar 1 203 1 . . 2 2 3 3 G H1 H . . . 1 1 7 7 DC H41 H . . . . . 5.00 2.00 6.00 . . . . . B . 12 G H1 . . A . 7 DC H41 . . . 12 . H1 . . . . . 7 . H41 . . c17535_2lar 1 204 1 . . 2 2 3 3 G H1 H . . . 1 1 7 7 DC H42 H . . . . . 5.00 2.00 6.00 . . . . . B . 12 G H1 . . A . 7 DC H42 . . . 12 . H1 . . . . . 7 . H42 . . c17535_2lar 1 205 1 . . 1 1 3 3 DG H1 H . . . 2 2 7 7 C H41 H . . . . . 5.00 2.00 6.00 . . . . . A . 3 DG H1 . . B . 16 C H41 . . . 3 . H1 . . . . . 16 . H41 . . c17535_2lar 1 206 1 . . 1 1 3 3 DG H1 H . . . 2 2 7 7 C H42 H . . . . . 5.00 2.00 6.00 . . . . . A . 3 DG H1 . . B . 16 C H42 . . . 3 . H1 . . . . . 16 . H42 . . c17535_2lar 1 207 1 . . 2 2 2 2 A H2 H . . . 1 1 8 8 DT H3 H . . . . . 5.00 2.00 6.00 . . . . . B . 11 A H2 . . A . 8 DT H3 . . . 11 . H2 . . . . . 8 . H3 . . c17535_2lar 1 208 1 . . 2 2 8 8 A H2 H . . . 1 1 3 3 DG H1 H . . . . . 5.00 2.00 6.00 . . . . . B . 17 A H2 . . A . 3 DG H1 . . . 17 . H2 . . . . . 3 . H1 . . c17535_2lar 1 209 1 . . 2 2 8 8 A H1' H . . . 1 1 3 3 DG H1 H . . . . . 5.50 2.00 6.00 . . . . . B . 17 A H1' . . A . 3 DG H1 . . . 17 . H1'' . . . . . 3 . H1 . . c17535_2lar 1 210 1 . . 2 2 4 4 C H1' H . . . 2 2 3 3 G H1 H . . . . . 5.00 2.00 6.00 . . . . . B . 13 C H1' . . B . 12 G H1 . . . 13 . H1'' . . . . . 12 . H1 . . c17535_2lar 1 211 1 . . 2 2 7 7 C H5 H . . . 1 1 3 3 DG H1 H . . . . . 5.00 2.00 6.00 . . . . . B . 16 C H5 . . A . 3 DG H1 . . . 16 . H5 . . . . . 3 . H1 . . c17535_2lar 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'distance constraint number 1' 1 1 1 33 c17535_2lar 1 2 'distance constraint number 2' 5 1 5 33 c17535_2lar 1 3 'distance constraint number 3' 9 1 9 33 c17535_2lar 1 4 'distance constraint number 4' 13 1 13 33 c17535_2lar 1 5 'distance constraint number 5' 17 1 17 33 c17535_2lar 1 6 'distance constraint number 6' 21 1 21 33 c17535_2lar 1 7 'distance constraint number 7' 25 1 25 33 c17535_2lar 1 8 'distance constraint number 8' 29 1 29 33 c17535_2lar 1 9 'distance constraint number 9' 33 1 33 33 c17535_2lar 1 10 'distance constraint number 10' 37 1 37 33 c17535_2lar 1 11 'distance constraint number 11' 41 1 41 33 c17535_2lar 1 12 'distance constraint number 12' 45 1 45 33 c17535_2lar 1 13 'distance constraint number 13' 49 1 49 33 c17535_2lar 1 14 'distance constraint number 14' 53 1 53 33 c17535_2lar 1 15 'distance constraint number 15' 57 1 57 33 c17535_2lar 1 16 'distance constraint number 16' 61 1 61 33 c17535_2lar 1 17 'distance constraint number 17' 66 1 66 33 c17535_2lar 1 18 'distance constraint number 18' 71 1 71 33 c17535_2lar 1 19 'distance constraint number 19' 76 1 76 33 c17535_2lar 1 20 'distance constraint number 20' 81 1 81 33 c17535_2lar 1 21 'distance constraint number 21' 85 1 85 33 c17535_2lar 1 22 'distance constraint number 22' 89 1 89 33 c17535_2lar 1 23 'distance constraint number 23' 93 1 93 33 c17535_2lar 1 24 'distance constraint number 24' 97 1 97 33 c17535_2lar 1 25 'distance constraint number 25' 101 1 101 33 c17535_2lar 1 26 'distance constraint number 26' 105 1 105 33 c17535_2lar 1 27 'distance constraint number 27' 109 1 109 33 c17535_2lar 1 28 'distance constraint number 28' 113 1 113 33 c17535_2lar 1 29 'distance constraint number 29' 117 1 117 33 c17535_2lar 1 30 'distance constraint number 30' 121 1 121 33 c17535_2lar 1 31 'distance constraint number 31' 125 1 125 33 c17535_2lar 1 32 'distance constraint number 32' 129 1 129 33 c17535_2lar 1 33 'distance constraint number 33' 133 1 133 33 c17535_2lar 1 34 'distance constraint number 34' 137 1 137 33 c17535_2lar 1 35 'distance constraint number 35' 141 1 141 33 c17535_2lar 1 36 'distance constraint number 36' 145 1 145 33 c17535_2lar 1 37 'distance constraint number 37' 149 1 149 33 c17535_2lar 1 38 'distance constraint number 38' 153 1 153 33 c17535_2lar 1 39 'distance constraint number 39' 158 1 158 33 c17535_2lar 1 40 'distance constraint number 40' 163 1 163 33 c17535_2lar 1 41 'distance constraint number 41' 168 1 168 33 c17535_2lar 1 42 'distance constraint number 42' 172 1 172 33 c17535_2lar 1 43 'distance constraint number 43' 177 1 177 33 c17535_2lar 1 44 'distance constraint number 44' 181 1 181 33 c17535_2lar 1 45 'distance constraint number 45' 185 1 185 33 c17535_2lar 1 46 'distance constraint number 46' 189 1 189 33 c17535_2lar 1 47 'distance constraint number 47' 194 1 194 33 c17535_2lar 1 48 'distance constraint number 48' 198 1 198 33 c17535_2lar 1 49 'distance constraint number 49' 202 1 202 33 c17535_2lar 1 50 'distance constraint number 50' 206 1 206 33 c17535_2lar 1 51 'distance constraint number 51' 210 1 210 33 c17535_2lar 1 52 'distance constraint number 52' 214 1 214 33 c17535_2lar 1 53 'distance constraint number 53' 218 1 218 33 c17535_2lar 1 54 'distance constraint number 54' 222 1 222 33 c17535_2lar 1 55 'distance constraint number 55' 226 1 226 33 c17535_2lar 1 56 'distance constraint number 56' 230 1 230 33 c17535_2lar 1 57 'distance constraint number 57' 234 1 234 33 c17535_2lar 1 58 'distance constraint number 58' 238 1 238 33 c17535_2lar 1 59 'distance constraint number 59' 242 1 242 33 c17535_2lar 1 60 'distance constraint number 60' 246 1 246 33 c17535_2lar 1 61 'distance constraint number 61' 250 1 250 33 c17535_2lar 1 62 'distance constraint number 62' 254 1 254 33 c17535_2lar 1 63 'distance constraint number 63' 258 1 258 33 c17535_2lar 1 64 'distance constraint number 64' 262 1 262 33 c17535_2lar 1 65 'distance constraint number 65' 267 1 267 33 c17535_2lar 1 66 'distance constraint number 66' 272 1 272 33 c17535_2lar 1 67 'distance constraint number 67' 277 1 277 33 c17535_2lar 1 68 'distance constraint number 68' 282 1 282 33 c17535_2lar 1 69 'distance constraint number 69' 286 1 286 33 c17535_2lar 1 70 'distance constraint number 70' 290 1 290 33 c17535_2lar 1 71 'distance constraint number 71' 294 1 294 33 c17535_2lar 1 72 'distance constraint number 72' 298 1 298 33 c17535_2lar 1 73 'distance constraint number 73' 302 1 302 33 c17535_2lar 1 74 'distance constraint number 74' 306 1 306 33 c17535_2lar 1 75 'distance constraint number 75' 310 1 310 33 c17535_2lar 1 76 'distance constraint number 76' 315 1 315 33 c17535_2lar 1 77 'distance constraint number 77' 319 1 319 33 c17535_2lar 1 78 'distance constraint number 78' 323 1 323 33 c17535_2lar 1 79 'distance constraint number 79' 327 1 327 33 c17535_2lar 1 80 'distance constraint number 80' 331 1 331 33 c17535_2lar 1 81 'distance constraint number 81' 335 1 335 33 c17535_2lar 1 82 'distance constraint number 82' 339 1 339 33 c17535_2lar 1 83 'distance constraint number 83' 343 1 343 33 c17535_2lar 1 84 'distance constraint number 84' 347 1 347 33 c17535_2lar 1 85 'distance constraint number 85' 351 1 351 33 c17535_2lar 1 86 'distance constraint number 86' 355 1 355 33 c17535_2lar 1 87 'distance constraint number 87' 359 1 359 33 c17535_2lar 1 88 'distance constraint number 88' 363 1 363 33 c17535_2lar 1 89 'distance constraint number 89' 367 1 367 33 c17535_2lar 1 90 'distance constraint number 90' 371 1 371 33 c17535_2lar 1 91 'distance constraint number 91' 375 1 375 33 c17535_2lar 1 92 'distance constraint number 92' 379 1 379 33 c17535_2lar 1 93 'distance constraint number 93' 383 1 383 33 c17535_2lar 1 94 'distance constraint number 94' 387 1 387 33 c17535_2lar 1 95 'distance constraint number 95' 391 1 391 33 c17535_2lar 1 96 'distance constraint number 96' 395 1 395 33 c17535_2lar 1 97 'distance constraint number 97' 399 1 399 33 c17535_2lar 1 98 'distance constraint number 98' 403 1 403 33 c17535_2lar 1 99 'distance constraint number 99' 407 1 407 33 c17535_2lar 1 100 'distance constraint number 100' 411 1 411 33 c17535_2lar 1 101 'distance constraint number 101' 415 1 415 33 c17535_2lar 1 102 'distance constraint number 102' 419 1 419 33 c17535_2lar 1 103 'distance constraint number 103' 423 1 423 33 c17535_2lar 1 104 'distance constraint number 104' 427 1 427 33 c17535_2lar 1 105 'distance constraint number 105' 431 1 431 33 c17535_2lar 1 106 'distance constraint number 106' 435 1 435 33 c17535_2lar 1 107 'distance constraint number 107' 439 1 439 33 c17535_2lar 1 108 'distance constraint number 108' 443 1 443 33 c17535_2lar 1 109 'distance constraint number 109' 447 1 447 33 c17535_2lar 1 110 'distance constraint number 110' 451 1 451 33 c17535_2lar 1 111 'distance constraint number 111' 455 1 455 33 c17535_2lar 1 112 'distance constraint number 112' 459 1 459 33 c17535_2lar 1 113 'distance constraint number 113' 463 1 463 33 c17535_2lar 1 114 'distance constraint number 114' 467 1 467 33 c17535_2lar 1 115 'distance constraint number 115' 471 1 471 33 c17535_2lar 1 116 'distance constraint number 116' 475 1 475 33 c17535_2lar 1 117 'distance constraint number 117' 479 1 479 33 c17535_2lar 1 118 'distance constraint number 118' 483 1 483 33 c17535_2lar 1 119 'distance constraint number 119' 487 1 487 33 c17535_2lar 1 120 'distance constraint number 120' 491 1 491 33 c17535_2lar 1 121 'distance constraint number 121' 495 1 495 33 c17535_2lar 1 122 'distance constraint number 122' 499 1 499 33 c17535_2lar 1 123 'distance constraint number 123' 503 1 503 33 c17535_2lar 1 124 'distance constraint number 124' 507 1 507 33 c17535_2lar 1 125 'distance constraint number 125' 511 1 511 33 c17535_2lar 1 126 'distance constraint number 126' 515 1 515 33 c17535_2lar 1 127 'distance constraint number 127' 519 1 519 33 c17535_2lar 1 128 'distance constraint number 128' 523 1 523 33 c17535_2lar 1 129 'distance constraint number 129' 527 1 527 33 c17535_2lar 1 130 'distance constraint number 130' 531 1 531 33 c17535_2lar 1 131 'distance constraint number 131' 535 1 535 33 c17535_2lar 1 132 'distance constraint number 132' 539 1 539 33 c17535_2lar 1 133 'distance constraint number 133' 543 1 543 33 c17535_2lar 1 134 'distance constraint number 134' 547 1 547 33 c17535_2lar 1 135 'distance constraint number 135' 551 1 551 33 c17535_2lar 1 136 'distance constraint number 136' 555 1 555 33 c17535_2lar 1 137 'distance constraint number 137' 559 1 559 33 c17535_2lar 1 138 'distance constraint number 138' 563 1 563 33 c17535_2lar 1 139 'distance constraint number 139' 567 1 567 33 c17535_2lar 1 140 'distance constraint number 140' 571 1 571 33 c17535_2lar 1 141 'distance constraint number 141' 575 1 575 33 c17535_2lar 1 142 'distance constraint number 142' 579 1 579 33 c17535_2lar 1 143 'distance constraint number 143' 583 1 583 33 c17535_2lar 1 144 'distance constraint number 144' 587 1 587 33 c17535_2lar 1 145 'distance constraint number 145' 591 1 591 33 c17535_2lar 1 146 'distance constraint number 146' 595 1 595 33 c17535_2lar 1 147 'distance constraint number 147' 599 1 599 33 c17535_2lar 1 148 'distance constraint number 148' 603 1 603 33 c17535_2lar 1 149 'distance constraint number 149' 607 1 607 33 c17535_2lar 1 150 'distance constraint number 150' 611 1 611 33 c17535_2lar 1 151 'distance constraint number 151' 615 1 615 33 c17535_2lar 1 152 'distance constraint number 152' 619 1 619 33 c17535_2lar 1 153 'distance constraint number 153' 623 1 623 33 c17535_2lar 1 154 'distance constraint number 154' 627 1 627 33 c17535_2lar 1 155 'distance constraint number 155' 631 1 631 33 c17535_2lar 1 156 'distance constraint number 156' 635 1 635 33 c17535_2lar 1 157 'distance constraint number 157' 639 1 639 33 c17535_2lar 1 158 'distance constraint number 158' 643 1 643 33 c17535_2lar 1 159 'distance constraint number 159' 648 1 648 33 c17535_2lar 1 160 'distance constraint number 160' 652 1 652 33 c17535_2lar 1 161 'distance constraint number 161' 657 1 657 33 c17535_2lar 1 162 'distance constraint number 162' 661 1 661 33 c17535_2lar 1 163 'distance constraint number 163' 665 1 665 33 c17535_2lar 1 164 'distance constraint number 164' 669 1 669 33 c17535_2lar 1 165 'distance constraint number 165' 673 1 673 33 c17535_2lar 1 166 'distance constraint number 166' 677 1 677 33 c17535_2lar 1 167 'distance constraint number 167' 681 1 681 33 c17535_2lar 1 168 'distance constraint number 168' 685 1 685 33 c17535_2lar 1 169 'distance constraint number 169' 689 1 689 33 c17535_2lar 1 170 'distance constraint number 170' 693 1 693 33 c17535_2lar 1 171 'distance constraint number 171' 697 1 697 33 c17535_2lar 1 172 'distance constraint number 172' 701 1 701 33 c17535_2lar 1 173 'distance constraint number 173' 705 1 705 33 c17535_2lar 1 174 'distance constraint number 174' 709 1 709 33 c17535_2lar 1 175 ; ====#MAY CONTAIN 5'1/5'2 in peak, adjusted to semiqual r3 was 3.01->4.0======== distance constraint number 175 ; 713 1 714 33 c17535_2lar 1 176 ; =============================================================================== distance constraint number 176 ; 718 1 719 33 c17535_2lar 1 177 'distance constraint number 177' 723 1 723 33 c17535_2lar 1 178 'distance constraint number 178' 727 1 727 33 c17535_2lar 1 179 'distance constraint number 179' 731 1 731 33 c17535_2lar 1 180 'distance constraint number 180' 735 1 735 33 c17535_2lar 1 181 'distance constraint number 181' 739 1 739 33 c17535_2lar 1 182 'distance constraint number 182' 743 1 743 33 c17535_2lar 1 183 'distance constraint number 183' 747 1 747 33 c17535_2lar 1 184 'distance constraint number 184' 751 1 751 33 c17535_2lar 1 185 'distance constraint number 185' 755 1 755 33 c17535_2lar 1 186 'distance constraint number 186' 759 1 759 33 c17535_2lar 1 187 'distance constraint number 187' 763 1 763 33 c17535_2lar 1 188 'distance constraint number 188' 767 1 767 33 c17535_2lar 1 189 'distance constraint number 189' 771 1 771 33 c17535_2lar 1 190 ; ============================================================================== semi Qual rsts 7/22/09 150ms distance constraint number 1 ; 776 1 779 33 c17535_2lar 1 191 'distance constraint number 2' 784 1 784 33 c17535_2lar 1 192 'distance constraint number 3' 789 1 789 33 c17535_2lar 1 193 'distance constraint number 4' 794 1 794 33 c17535_2lar 1 194 'distance constraint number 5' 799 1 799 33 c17535_2lar 1 195 ; Borano rst BH3-T5H3' distance constraint number 6 ; 804 1 805 32 c17535_2lar 1 196 ; =============================================================================== G-C base pairs: 3-16,4-15,6-13,12-7,10-9: ; 810 1 811 44 c17535_2lar 1 197 'A-T/U base pairs: 1-18,17-2,11-8:' 863 1 863 36 c17535_2lar 1 198 ; ======================================================================== BPS IMINO RSTS (USING A1 T2 G3 C7 T8 C9 ON ENDS) distance constraint number 2 ; 896 1 899 33 c17535_2lar 1 199 'distance constraint number 6' 903 1 903 33 c17535_2lar 1 200 'distance constraint number 7' 907 1 907 33 c17535_2lar 1 201 'distance constraint number 12' 911 1 911 34 c17535_2lar 1 202 'distance constraint number 13' 915 1 915 34 c17535_2lar 1 203 'distance constraint number 14' 919 1 919 34 c17535_2lar 1 204 'distance constraint number 19' 923 1 923 34 c17535_2lar 1 205 ; ============================================================== IMINO -> H1' LONG RANGE SOME MAYBE NOISE - set R3 = 5.5A distance constraint number 20 ; 927 1 930 34 c17535_2lar 1 206 ; =============================================================== distance constraint number 24 ; 934 1 935 34 c17535_2lar 1 207 'distance constraint number 27' 939 1 939 34 c17535_2lar 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 16 1 "Not handling restraint 16, item 1, resonance(s) '2lar_ambr001.1.H1'' (nmrStar names),'2lar_ambr001.2.H72' (nmrStar names) not linked" c17535_2lar 1 2 2 16 1 "Not handling restraint 16, item 1, resonance(s) '2lar_ambr001.1.H1'' (nmrStar names),'2lar_ambr001.2.H73' (nmrStar names) not linked" c17535_2lar 1 3 2 16 1 "Not handling restraint 16, item 1, resonance(s) '2lar_ambr001.2.H71' (nmrStar names),'2lar_ambr001.1.H1'' (nmrStar names) not linked" c17535_2lar 1 4 2 17 1 "Not handling restraint 17, item 1, resonance(s) '2lar_ambr001.2.H71' (nmrStar names),'2lar_ambr001.1.H8' (nmrStar names) not linked" c17535_2lar 1 5 2 17 1 "Not handling restraint 17, item 1, resonance(s) '2lar_ambr001.2.H72' (nmrStar names),'2lar_ambr001.1.H8' (nmrStar names) not linked" c17535_2lar 1 6 2 17 1 "Not handling restraint 17, item 1, resonance(s) '2lar_ambr001.2.H73' (nmrStar names),'2lar_ambr001.1.H8' (nmrStar names) not linked" c17535_2lar 1 7 2 18 1 "Not handling restraint 18, item 1, resonance(s) '2lar_ambr001.2.H71' (nmrStar names),'2lar_ambr001.1.H2' (nmrStar names) not linked" c17535_2lar 1 8 2 18 1 "Not handling restraint 18, item 1, resonance(s) '2lar_ambr001.2.H72' (nmrStar names),'2lar_ambr001.1.H2' (nmrStar names) not linked" c17535_2lar 1 9 2 18 1 "Not handling restraint 18, item 1, resonance(s) '2lar_ambr001.2.H73' (nmrStar names),'2lar_ambr001.1.H2' (nmrStar names) not linked" c17535_2lar 1 10 2 19 1 "Not handling restraint 19, item 1, resonance(s) '2lar_ambr001.2.H71' (nmrStar names),'2lar_ambr001.1.H3'' (nmrStar names) not linked" c17535_2lar 1 11 2 19 1 "Not handling restraint 19, item 1, resonance(s) '2lar_ambr001.2.H72' (nmrStar names),'2lar_ambr001.1.H3'' (nmrStar names) not linked" c17535_2lar 1 12 2 19 1 "Not handling restraint 19, item 1, resonance(s) '2lar_ambr001.2.H73' (nmrStar names),'2lar_ambr001.1.H3'' (nmrStar names) not linked" c17535_2lar 1 13 2 38 1 "Not handling restraint 38, item 1, resonance(s) '2lar_ambr001.4.H8' (nmrStar names),'2lar_ambr001.5.H72' (nmrStar names) not linked" c17535_2lar 1 14 2 38 1 "Not handling restraint 38, item 1, resonance(s) '2lar_ambr001.4.H8' (nmrStar names),'2lar_ambr001.5.H73' (nmrStar names) not linked" c17535_2lar 1 15 2 38 1 "Not handling restraint 38, item 1, resonance(s) '2lar_ambr001.5.H71' (nmrStar names),'2lar_ambr001.4.H8' (nmrStar names) not linked" c17535_2lar 1 16 2 39 1 "Not handling restraint 39, item 1, resonance(s) '2lar_ambr001.5.H71' (nmrStar names),'2lar_ambr001.4.H2'1' (nmrStar names) not linked" c17535_2lar 1 17 2 39 1 "Not handling restraint 39, item 1, resonance(s) '2lar_ambr001.5.H72' (nmrStar names),'2lar_ambr001.4.H2'1' (nmrStar names) not linked" c17535_2lar 1 18 2 39 1 "Not handling restraint 39, item 1, resonance(s) '2lar_ambr001.5.H73' (nmrStar names),'2lar_ambr001.4.H2'1' (nmrStar names) not linked" c17535_2lar 1 19 2 40 1 "Not handling restraint 40, item 1, resonance(s) '2lar_ambr001.5.H71' (nmrStar names),'2lar_ambr001.5.H6' (nmrStar names) not linked" c17535_2lar 1 20 2 40 1 "Not handling restraint 40, item 1, resonance(s) '2lar_ambr001.5.H72' (nmrStar names),'2lar_ambr001.5.H6' (nmrStar names) not linked" c17535_2lar 1 21 2 40 1 "Not handling restraint 40, item 1, resonance(s) '2lar_ambr001.5.H73' (nmrStar names),'2lar_ambr001.5.H6' (nmrStar names) not linked" c17535_2lar 1 22 2 42 1 "Not handling restraint 42, item 1, resonance(s) '2lar_ambr001.5.H71' (nmrStar names),'2lar_ambr001.5.H3'' (nmrStar names) not linked" c17535_2lar 1 23 2 42 1 "Not handling restraint 42, item 1, resonance(s) '2lar_ambr001.5.H72' (nmrStar names),'2lar_ambr001.5.H3'' (nmrStar names) not linked" c17535_2lar 1 24 2 42 1 "Not handling restraint 42, item 1, resonance(s) '2lar_ambr001.5.H73' (nmrStar names),'2lar_ambr001.5.H3'' (nmrStar names) not linked" c17535_2lar 1 25 2 46 1 "Not handling restraint 46, item 1, resonance(s) '2lar_ambr001.5.H71' (nmrStar names),'2lar_ambr001.6.H8' (nmrStar names) not linked" c17535_2lar 1 26 2 46 1 "Not handling restraint 46, item 1, resonance(s) '2lar_ambr001.5.H72' (nmrStar names),'2lar_ambr001.6.H8' (nmrStar names) not linked" c17535_2lar 1 27 2 46 1 "Not handling restraint 46, item 1, resonance(s) '2lar_ambr001.5.H73' (nmrStar names),'2lar_ambr001.6.H8' (nmrStar names) not linked" c17535_2lar 1 28 2 64 1 "Not handling restraint 64, item 1, resonance(s) '2lar_ambr001.7.H1'' (nmrStar names),'2lar_ambr001.8.H72' (nmrStar names) not linked" c17535_2lar 1 29 2 64 1 "Not handling restraint 64, item 1, resonance(s) '2lar_ambr001.7.H1'' (nmrStar names),'2lar_ambr001.8.H73' (nmrStar names) not linked" c17535_2lar 1 30 2 64 1 "Not handling restraint 64, item 1, resonance(s) '2lar_ambr001.8.H71' (nmrStar names),'2lar_ambr001.7.H1'' (nmrStar names) not linked" c17535_2lar 1 31 2 65 1 "Not handling restraint 65, item 1, resonance(s) '2lar_ambr001.8.H71' (nmrStar names),'2lar_ambr001.7.H6' (nmrStar names) not linked" c17535_2lar 1 32 2 65 1 "Not handling restraint 65, item 1, resonance(s) '2lar_ambr001.8.H72' (nmrStar names),'2lar_ambr001.7.H6' (nmrStar names) not linked" c17535_2lar 1 33 2 65 1 "Not handling restraint 65, item 1, resonance(s) '2lar_ambr001.8.H73' (nmrStar names),'2lar_ambr001.7.H6' (nmrStar names) not linked" c17535_2lar 1 34 2 66 1 "Not handling restraint 66, item 1, resonance(s) '2lar_ambr001.8.H71' (nmrStar names),'2lar_ambr001.7.H5' (nmrStar names) not linked" c17535_2lar 1 35 2 66 1 "Not handling restraint 66, item 1, resonance(s) '2lar_ambr001.8.H72' (nmrStar names),'2lar_ambr001.7.H5' (nmrStar names) not linked" c17535_2lar 1 36 2 66 1 "Not handling restraint 66, item 1, resonance(s) '2lar_ambr001.8.H73' (nmrStar names),'2lar_ambr001.7.H5' (nmrStar names) not linked" c17535_2lar 1 37 2 67 1 "Not handling restraint 67, item 1, resonance(s) '2lar_ambr001.8.H71' (nmrStar names),'2lar_ambr001.7.H3'' (nmrStar names) not linked" c17535_2lar 1 38 2 67 1 "Not handling restraint 67, item 1, resonance(s) '2lar_ambr001.8.H72' (nmrStar names),'2lar_ambr001.7.H3'' (nmrStar names) not linked" c17535_2lar 1 39 2 67 1 "Not handling restraint 67, item 1, resonance(s) '2lar_ambr001.8.H73' (nmrStar names),'2lar_ambr001.7.H3'' (nmrStar names) not linked" c17535_2lar 1 40 2 75 1 "Not handling restraint 75, item 1, resonance(s) '2lar_ambr001.8.H71' (nmrStar names),'2lar_ambr001.9.H5' (nmrStar names) not linked" c17535_2lar 1 41 2 75 1 "Not handling restraint 75, item 1, resonance(s) '2lar_ambr001.8.H72' (nmrStar names),'2lar_ambr001.9.H5' (nmrStar names) not linked" c17535_2lar 1 42 2 75 1 "Not handling restraint 75, item 1, resonance(s) '2lar_ambr001.8.H73' (nmrStar names),'2lar_ambr001.9.H5' (nmrStar names) not linked" c17535_2lar 1 43 2 158 1 "Not handling restraint 158, item 1, resonance(s) '2lar_ambr001.5.H71' (nmrStar names),'2lar_ambr001.4.H4'' (nmrStar names) not linked" c17535_2lar 1 44 2 158 1 "Not handling restraint 158, item 1, resonance(s) '2lar_ambr001.5.H72' (nmrStar names),'2lar_ambr001.4.H4'' (nmrStar names) not linked" c17535_2lar 1 45 2 158 1 "Not handling restraint 158, item 1, resonance(s) '2lar_ambr001.5.H73' (nmrStar names),'2lar_ambr001.4.H4'' (nmrStar names) not linked" c17535_2lar 1 46 2 160 1 "Not handling restraint 160, item 1, resonance(s) '2lar_ambr001.5.H71' (nmrStar names),'2lar_ambr001.4.H2'2' (nmrStar names) not linked" c17535_2lar 1 47 2 160 1 "Not handling restraint 160, item 1, resonance(s) '2lar_ambr001.5.H72' (nmrStar names),'2lar_ambr001.4.H2'2' (nmrStar names) not linked" c17535_2lar 1 48 2 160 1 "Not handling restraint 160, item 1, resonance(s) '2lar_ambr001.5.H73' (nmrStar names),'2lar_ambr001.4.H2'2' (nmrStar names) not linked" c17535_2lar 1 49 2 195 1 "Not handling restraint 195, item 1, resonance(s) '2lar_ambr001.5.H3'' (nmrStar names),'2lar_ambr001.6.HB1' (nmrStar names) not linked" c17535_2lar 1 50 2 195 1 "Not handling restraint 195, item 1, resonance(s) '2lar_ambr001.5.H3'' (nmrStar names),'2lar_ambr001.6.HB2' (nmrStar names) not linked" c17535_2lar 1 51 2 195 1 "Not handling restraint 195, item 1, resonance(s) '2lar_ambr001.5.H3'' (nmrStar names),'2lar_ambr001.6.HB3' (nmrStar names) not linked" c17535_2lar 1 stop_ save_ save_AMBER_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode AMBER_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c17535_2lar _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c17535_2lar 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 DA O5' O . . 1 1 1 1 DA C5' C . . 1 1 1 1 DA C4' C . . 1 1 1 1 DA C3' C . 30.5 90.5 . . . A . 1 DA O5' . . A . 1 DA C5' . . A . 1 DA C4' . . A . 1 DA C3' . . . 1 . O5'' . . . . . 1 . C5'' . . . . . 1 . C4'' . . . . . 1 . C3'' . . c17535_2lar 1 2 . . 1 1 1 1 DA C4' C . . 1 1 1 1 DA C3' C . . 1 1 1 1 DA O3' O . . 1 1 2 2 DT P P . 188.0 198.0 . . . A . 1 DA C4' . . A . 1 DA C3' . . A . 1 DA O3' . . A . 2 DT P . . . 1 . C4'' . . . . . 1 . C3'' . . . . . 1 . O3'' . . . . . 2 . P . . c17535_2lar 1 3 . . 1 1 1 1 DA C3' C . . 1 1 1 1 DA O3' O . . 1 1 2 2 DT P P . . 1 1 2 2 DT O5' O . 150.2 315.2 . . . A . 1 DA C3' . . A . 1 DA O3' . . A . 2 DT P . . A . 2 DT O5' . . . 1 . C3'' . . . . . 1 . O3'' . . . . . 2 . P . . . . . 2 . O5'' . . c17535_2lar 1 4 . . 1 1 1 1 DA O3' O . . 1 1 2 2 DT P P . . 1 1 2 2 DT O5' O . . 1 1 2 2 DT C5' C . 270.3 330.3 . . . A . 1 DA O3' . . A . 2 DT P . . A . 2 DT O5' . . A . 2 DT C5' . . . 1 . O3'' . . . . . 2 . P . . . . . 2 . O5'' . . . . . 2 . C5'' . . c17535_2lar 1 5 . . 1 1 2 2 DT P P . . 1 1 2 2 DT O5' O . . 1 1 2 2 DT C5' C . . 1 1 2 2 DT C4' C . 135.4 215.4 . . . A . 2 DT P . . A . 2 DT O5' . . A . 2 DT C5' . . A . 2 DT C4' . . . 2 . P . . . . . 2 . O5'' . . . . . 2 . C5'' . . . . . 2 . C4'' . . c17535_2lar 1 6 . . 1 1 2 2 DT O5' O . . 1 1 2 2 DT C5' C . . 1 1 2 2 DT C4' C . . 1 1 2 2 DT C3' C . 30.5 90.5 . . . A . 2 DT O5' . . A . 2 DT C5' . . A . 2 DT C4' . . A . 2 DT C3' . . . 2 . O5'' . . . . . 2 . C5'' . . . . . 2 . C4'' . . . . . 2 . C3'' . . c17535_2lar 1 7 . . 1 1 2 2 DT C4' C . . 1 1 2 2 DT C3' C . . 1 1 2 2 DT O3' O . . 1 1 3 3 DG P P . 184.0 194.0 . . . A . 2 DT C4' . . A . 2 DT C3' . . A . 2 DT O3' . . A . 3 DG P . . . 2 . C4'' . . . . . 2 . C3'' . . . . . 2 . O3'' . . . . . 3 . P . . c17535_2lar 1 8 . . 1 1 2 2 DT C3' C . . 1 1 2 2 DT O3' O . . 1 1 3 3 DG P P . . 1 1 3 3 DG O5' O . 150.2 315.2 . . . A . 2 DT C3' . . A . 2 DT O3' . . A . 3 DG P . . A . 3 DG O5' . . . 2 . C3'' . . . . . 2 . O3'' . . . . . 3 . P . . . . . 3 . O5'' . . c17535_2lar 1 9 . . 1 1 2 2 DT O3' O . . 1 1 3 3 DG P P . . 1 1 3 3 DG O5' O . . 1 1 3 3 DG C5' C . 270.3 330.3 . . . A . 2 DT O3' . . A . 3 DG P . . A . 3 DG O5' . . A . 3 DG C5' . . . 2 . O3'' . . . . . 3 . P . . . . . 3 . O5'' . . . . . 3 . C5'' . . c17535_2lar 1 10 . . 1 1 3 3 DG P P . . 1 1 3 3 DG O5' O . . 1 1 3 3 DG C5' C . . 1 1 3 3 DG C4' C . 135.4 215.4 . . . A . 3 DG P . . A . 3 DG O5' . . A . 3 DG C5' . . A . 3 DG C4' . . . 3 . P . . . . . 3 . O5'' . . . . . 3 . C5'' . . . . . 3 . C4'' . . c17535_2lar 1 11 . . 1 1 3 3 DG O5' O . . 1 1 3 3 DG C5' C . . 1 1 3 3 DG C4' C . . 1 1 3 3 DG C3' C . 30.5 90.5 . . . A . 3 DG O5' . . A . 3 DG C5' . . A . 3 DG C4' . . A . 3 DG C3' . . . 3 . O5'' . . . . . 3 . C5'' . . . . . 3 . C4'' . . . . . 3 . C3'' . . c17535_2lar 1 12 . . 1 1 3 3 DG C4' C . . 1 1 3 3 DG C3' C . . 1 1 3 3 DG O3' O . . 1 1 4 4 DG P P . 178.0 188.0 . . . A . 3 DG C4' . . A . 3 DG C3' . . A . 3 DG O3' . . A . 4 DG P . . . 3 . C4'' . . . . . 3 . C3'' . . . . . 3 . O3'' . . . . . 4 . P . . c17535_2lar 1 13 . . 1 1 3 3 DG C3' C . . 1 1 3 3 DG O3' O . . 1 1 4 4 DG P P . . 1 1 4 4 DG O5' O . 150.2 315.2 . . . A . 3 DG C3' . . A . 3 DG O3' . . A . 4 DG P . . A . 4 DG O5' . . . 3 . C3'' . . . . . 3 . O3'' . . . . . 4 . P . . . . . 4 . O5'' . . c17535_2lar 1 14 . . 1 1 3 3 DG O3' O . . 1 1 4 4 DG P P . . 1 1 4 4 DG O5' O . . 1 1 4 4 DG C5' C . 270.3 330.3 . . . A . 3 DG O3' . . A . 4 DG P . . A . 4 DG O5' . . A . 4 DG C5' . . . 3 . O3'' . . . . . 4 . P . . . . . 4 . O5'' . . . . . 4 . C5'' . . c17535_2lar 1 15 . . 1 1 4 4 DG P P . . 1 1 4 4 DG O5' O . . 1 1 4 4 DG C5' C . . 1 1 4 4 DG C4' C . 135.4 215.4 . . . A . 4 DG P . . A . 4 DG O5' . . A . 4 DG C5' . . A . 4 DG C4' . . . 4 . P . . . . . 4 . O5'' . . . . . 4 . C5'' . . . . . 4 . C4'' . . c17535_2lar 1 16 . . 1 1 4 4 DG O5' O . . 1 1 4 4 DG C5' C . . 1 1 4 4 DG C4' C . . 1 1 4 4 DG C3' C . 30.5 90.5 . . . A . 4 DG O5' . . A . 4 DG C5' . . A . 4 DG C4' . . A . 4 DG C3' . . . 4 . O5'' . . . . . 4 . C5'' . . . . . 4 . C4'' . . . . . 4 . C3'' . . c17535_2lar 1 17 . . 1 1 4 4 DG C3' C . . 1 1 4 4 DG O3' O . . 1 1 5 5 DT P P . . 1 1 5 5 DT O5' O . 150.2 315.2 . . . A . 4 DG C3' . . A . 4 DG O3' . . A . 5 DT P . . A . 5 DT O5' . . . 4 . C3'' . . . . . 4 . O3'' . . . . . 5 . P . . . . . 5 . O5'' . . c17535_2lar 1 18 . . 1 1 4 4 DG O3' O . . 1 1 5 5 DT P P . . 1 1 5 5 DT O5' O . . 1 1 5 5 DT C5' C . 270.3 330.3 . . . A . 4 DG O3' . . A . 5 DT P . . A . 5 DT O5' . . A . 5 DT C5' . . . 4 . O3'' . . . . . 5 . P . . . . . 5 . O5'' . . . . . 5 . C5'' . . c17535_2lar 1 19 . . 1 1 5 5 DT P P . . 1 1 5 5 DT O5' O . . 1 1 5 5 DT C5' C . . 1 1 5 5 DT C4' C . 135.4 215.4 . . . A . 5 DT P . . A . 5 DT O5' . . A . 5 DT C5' . . A . 5 DT C4' . . . 5 . P . . . . . 5 . O5'' . . . . . 5 . C5'' . . . . . 5 . C4'' . . c17535_2lar 1 20 . . 1 1 5 5 DT O5' O . . 1 1 5 5 DT C5' C . . 1 1 5 5 DT C4' C . . 1 1 5 5 DT C3' C . 30.5 90.5 . . . A . 5 DT O5' . . A . 5 DT C5' . . A . 5 DT C4' . . A . 5 DT C3' . . . 5 . O5'' . . . . . 5 . C5'' . . . . . 5 . C4'' . . . . . 5 . C3'' . . c17535_2lar 1 21 . . 1 1 5 5 DT C4' C . . 1 1 5 5 DT C3' C . . 1 1 5 5 DT O3' O . . 1 1 6 6 BGR P P . 168.0 178.0 . . . A . 5 DT C4' . . A . 5 DT C3' . . A . 5 DT O3' . . A . 6 BGR P . . . 5 . C4'' . . . . . 5 . C3'' . . . . . 5 . O3'' . . . . . 6 . P . . c17535_2lar 1 22 . . 1 1 5 5 DT C3' C . . 1 1 5 5 DT O3' O . . 1 1 6 6 BGR P P . . 1 1 6 6 BGR O5' O . 150.2 315.2 . . . A . 5 DT C3' . . A . 5 DT O3' . . A . 6 BGR P . . A . 6 BGR O5' . . . 5 . C3'' . . . . . 5 . O3'' . . . . . 6 . P . . . . . 6 . O5'' . . c17535_2lar 1 23 . . 1 1 5 5 DT O3' O . . 1 1 6 6 BGR P P . . 1 1 6 6 BGR O5' O . . 1 1 6 6 BGR C5' C . 270.3 330.3 . . . A . 5 DT O3' . . A . 6 BGR P . . A . 6 BGR O5' . . A . 6 BGR C5' . . . 5 . O3'' . . . . . 6 . P . . . . . 6 . O5'' . . . . . 6 . C5'' . . c17535_2lar 1 24 . . 1 1 6 6 BGR P P . . 1 1 6 6 BGR O5' O . . 1 1 6 6 BGR C5' C . . 1 1 6 6 BGR C4' C . 135.4 215.4 . . . A . 6 BGR P . . A . 6 BGR O5' . . A . 6 BGR C5' . . A . 6 BGR C4' . . . 6 . P . . . . . 6 . O5'' . . . . . 6 . C5'' . . . . . 6 . C4'' . . c17535_2lar 1 25 . . 1 1 6 6 BGR O5' O . . 1 1 6 6 BGR C5' C . . 1 1 6 6 BGR C4' C . . 1 1 6 6 BGR C3' C . 30.5 90.5 . . . A . 6 BGR O5' . . A . 6 BGR C5' . . A . 6 BGR C4' . . A . 6 BGR C3' . . . 6 . O5'' . . . . . 6 . C5'' . . . . . 6 . C4'' . . . . . 6 . C3'' . . c17535_2lar 1 26 . . 1 1 6 6 BGR C4' C . . 1 1 6 6 BGR C3' C . . 1 1 6 6 BGR O3' O . . 1 1 7 7 DC P P . 190.0 200.0 . . . A . 6 BGR C4' . . A . 6 BGR C3' . . A . 6 BGR O3' . . A . 7 DC P . . . 6 . C4'' . . . . . 6 . C3'' . . . . . 6 . O3'' . . . . . 7 . P . . c17535_2lar 1 27 . . 1 1 6 6 BGR C3' C . . 1 1 6 6 BGR O3' O . . 1 1 7 7 DC P P . . 1 1 7 7 DC O5' O . 150.2 315.2 . . . A . 6 BGR C3' . . A . 6 BGR O3' . . A . 7 DC P . . A . 7 DC O5' . . . 6 . C3'' . . . . . 6 . O3'' . . . . . 7 . P . . . . . 7 . O5'' . . c17535_2lar 1 28 . . 1 1 6 6 BGR O3' O . . 1 1 7 7 DC P P . . 1 1 7 7 DC O5' O . . 1 1 7 7 DC C5' C . 270.3 330.3 . . . A . 6 BGR O3' . . A . 7 DC P . . A . 7 DC O5' . . A . 7 DC C5' . . . 6 . O3'' . . . . . 7 . P . . . . . 7 . O5'' . . . . . 7 . C5'' . . c17535_2lar 1 29 . . 1 1 7 7 DC P P . . 1 1 7 7 DC O5' O . . 1 1 7 7 DC C5' C . . 1 1 7 7 DC C4' C . 135.4 215.4 . . . A . 7 DC P . . A . 7 DC O5' . . A . 7 DC C5' . . A . 7 DC C4' . . . 7 . P . . . . . 7 . O5'' . . . . . 7 . C5'' . . . . . 7 . C4'' . . c17535_2lar 1 30 . . 1 1 7 7 DC O5' O . . 1 1 7 7 DC C5' C . . 1 1 7 7 DC C4' C . . 1 1 7 7 DC C3' C . 30.5 90.5 . . . A . 7 DC O5' . . A . 7 DC C5' . . A . 7 DC C4' . . A . 7 DC C3' . . . 7 . O5'' . . . . . 7 . C5'' . . . . . 7 . C4'' . . . . . 7 . C3'' . . c17535_2lar 1 31 . . 1 1 7 7 DC C4' C . . 1 1 7 7 DC C3' C . . 1 1 7 7 DC O3' O . . 1 1 8 8 DT P P . 188.0 198.0 . . . A . 7 DC C4' . . A . 7 DC C3' . . A . 7 DC O3' . . A . 8 DT P . . . 7 . C4'' . . . . . 7 . C3'' . . . . . 7 . O3'' . . . . . 8 . P . . c17535_2lar 1 32 . . 1 1 7 7 DC C3' C . . 1 1 7 7 DC O3' O . . 1 1 8 8 DT P P . . 1 1 8 8 DT O5' O . 150.2 315.2 . . . A . 7 DC C3' . . A . 7 DC O3' . . A . 8 DT P . . A . 8 DT O5' . . . 7 . C3'' . . . . . 7 . O3'' . . . . . 8 . P . . . . . 8 . O5'' . . c17535_2lar 1 33 . . 1 1 7 7 DC O3' O . . 1 1 8 8 DT P P . . 1 1 8 8 DT O5' O . . 1 1 8 8 DT C5' C . 270.3 330.3 . . . A . 7 DC O3' . . A . 8 DT P . . A . 8 DT O5' . . A . 8 DT C5' . . . 7 . O3'' . . . . . 8 . P . . . . . 8 . O5'' . . . . . 8 . C5'' . . c17535_2lar 1 34 . . 1 1 8 8 DT P P . . 1 1 8 8 DT O5' O . . 1 1 8 8 DT C5' C . . 1 1 8 8 DT C4' C . 135.4 215.4 . . . A . 8 DT P . . A . 8 DT O5' . . A . 8 DT C5' . . A . 8 DT C4' . . . 8 . P . . . . . 8 . O5'' . . . . . 8 . C5'' . . . . . 8 . C4'' . . c17535_2lar 1 35 . . 1 1 8 8 DT O5' O . . 1 1 8 8 DT C5' C . . 1 1 8 8 DT C4' C . . 1 1 8 8 DT C3' C . 30.5 90.5 . . . A . 8 DT O5' . . A . 8 DT C5' . . A . 8 DT C4' . . A . 8 DT C3' . . . 8 . O5'' . . . . . 8 . C5'' . . . . . 8 . C4'' . . . . . 8 . C3'' . . c17535_2lar 1 36 . . 1 1 8 8 DT C4' C . . 1 1 8 8 DT C3' C . . 1 1 8 8 DT O3' O . . 1 1 9 9 DC P P . 184.0 194.0 . . . A . 8 DT C4' . . A . 8 DT C3' . . A . 8 DT O3' . . A . 9 DC P . . . 8 . C4'' . . . . . 8 . C3'' . . . . . 8 . O3'' . . . . . 9 . P . . c17535_2lar 1 37 . . 1 1 8 8 DT C3' C . . 1 1 8 8 DT O3' O . . 1 1 9 9 DC P P . . 1 1 9 9 DC O5' O . 150.2 315.2 . . . A . 8 DT C3' . . A . 8 DT O3' . . A . 9 DC P . . A . 9 DC O5' . . . 8 . C3'' . . . . . 8 . O3'' . . . . . 9 . P . . . . . 9 . O5'' . . c17535_2lar 1 38 . . 1 1 8 8 DT O3' O . . 1 1 9 9 DC P P . . 1 1 9 9 DC O5' O . . 1 1 9 9 DC C5' C . 270.3 330.3 . . . A . 8 DT O3' . . A . 9 DC P . . A . 9 DC O5' . . A . 9 DC C5' . . . 8 . O3'' . . . . . 9 . P . . . . . 9 . O5'' . . . . . 9 . C5'' . . c17535_2lar 1 39 . . 1 1 9 9 DC P P . . 1 1 9 9 DC O5' O . . 1 1 9 9 DC C5' C . . 1 1 9 9 DC C4' C . 135.4 215.4 . . . A . 9 DC P . . A . 9 DC O5' . . A . 9 DC C5' . . A . 9 DC C4' . . . 9 . P . . . . . 9 . O5'' . . . . . 9 . C5'' . . . . . 9 . C4'' . . c17535_2lar 1 40 . . 1 1 9 9 DC O5' O . . 1 1 9 9 DC C5' C . . 1 1 9 9 DC C4' C . . 1 1 9 9 DC C3' C . 30.5 90.5 . . . A . 9 DC O5' . . A . 9 DC C5' . . A . 9 DC C4' . . A . 9 DC C3' . . . 9 . O5'' . . . . . 9 . C5'' . . . . . 9 . C4'' . . . . . 9 . C3'' . . c17535_2lar 1 41 . . 2 2 1 1 G C4' C . . 2 2 1 1 G C3' C . . 2 2 1 1 G O3' O . . 2 2 2 2 A P P . 199.1 219.1 . . . B . 10 G C4' . . B . 10 G C3' . . B . 10 G O3' . . B . 11 A P . . . 10 . C4'' . . . . . 10 . C3'' . . . . . 10 . O3'' . . . . . 11 . P . . c17535_2lar 1 42 . . 2 2 1 1 G C3' C . . 2 2 1 1 G O3' O . . 2 2 2 2 A P P . . 2 2 2 2 A O5' O . 150.2 315.2 . . . B . 10 G C3' . . B . 10 G O3' . . B . 11 A P . . B . 11 A O5' . . . 10 . C3'' . . . . . 10 . O3'' . . . . . 11 . P . . . . . 11 . O5'' . . c17535_2lar 1 43 . . 2 2 1 1 G O3' O . . 2 2 2 2 A P P . . 2 2 2 2 A O5' O . . 2 2 2 2 A C5' C . 270.3 330.3 . . . B . 10 G O3' . . B . 11 A P . . B . 11 A O5' . . B . 11 A C5' . . . 10 . O3'' . . . . . 11 . P . . . . . 11 . O5'' . . . . . 11 . C5'' . . c17535_2lar 1 44 . . 2 2 2 2 A P P . . 2 2 2 2 A O5' O . . 2 2 2 2 A C5' C . . 2 2 2 2 A C4' C . 135.4 215.4 . . . B . 11 A P . . B . 11 A O5' . . B . 11 A C5' . . B . 11 A C4' . . . 11 . P . . . . . 11 . O5'' . . . . . 11 . C5'' . . . . . 11 . C4'' . . c17535_2lar 1 45 . . 2 2 2 2 A O5' O . . 2 2 2 2 A C5' C . . 2 2 2 2 A C4' C . . 2 2 2 2 A C3' C . 30.5 90.5 . . . B . 11 A O5' . . B . 11 A C5' . . B . 11 A C4' . . B . 11 A C3' . . . 11 . O5'' . . . . . 11 . C5'' . . . . . 11 . C4'' . . . . . 11 . C3'' . . c17535_2lar 1 46 . . 2 2 2 2 A C4' C . . 2 2 2 2 A C3' C . . 2 2 2 2 A O3' O . . 2 2 3 3 G P P . 199.1 219.1 . . . B . 11 A C4' . . B . 11 A C3' . . B . 11 A O3' . . B . 12 G P . . . 11 . C4'' . . . . . 11 . C3'' . . . . . 11 . O3'' . . . . . 12 . P . . c17535_2lar 1 47 . . 2 2 2 2 A C3' C . . 2 2 2 2 A O3' O . . 2 2 3 3 G P P . . 2 2 3 3 G O5' O . 150.2 315.2 . . . B . 11 A C3' . . B . 11 A O3' . . B . 12 G P . . B . 12 G O5' . . . 11 . C3'' . . . . . 11 . O3'' . . . . . 12 . P . . . . . 12 . O5'' . . c17535_2lar 1 48 . . 2 2 2 2 A O3' O . . 2 2 3 3 G P P . . 2 2 3 3 G O5' O . . 2 2 3 3 G C5' C . 270.3 330.3 . . . B . 11 A O3' . . B . 12 G P . . B . 12 G O5' . . B . 12 G C5' . . . 11 . O3'' . . . . . 12 . P . . . . . 12 . O5'' . . . . . 12 . C5'' . . c17535_2lar 1 49 . . 2 2 3 3 G P P . . 2 2 3 3 G O5' O . . 2 2 3 3 G C5' C . . 2 2 3 3 G C4' C . 135.4 215.4 . . . B . 12 G P . . B . 12 G O5' . . B . 12 G C5' . . B . 12 G C4' . . . 12 . P . . . . . 12 . O5'' . . . . . 12 . C5'' . . . . . 12 . C4'' . . c17535_2lar 1 50 . . 2 2 3 3 G O5' O . . 2 2 3 3 G C5' C . . 2 2 3 3 G C4' C . . 2 2 3 3 G C3' C . 30.5 90.5 . . . B . 12 G O5' . . B . 12 G C5' . . B . 12 G C4' . . B . 12 G C3' . . . 12 . O5'' . . . . . 12 . C5'' . . . . . 12 . C4'' . . . . . 12 . C3'' . . c17535_2lar 1 51 . . 2 2 3 3 G C4' C . . 2 2 3 3 G C3' C . . 2 2 3 3 G O3' O . . 2 2 4 4 C P P . 199.1 219.1 . . . B . 12 G C4' . . B . 12 G C3' . . B . 12 G O3' . . B . 13 C P . . . 12 . C4'' . . . . . 12 . C3'' . . . . . 12 . O3'' . . . . . 13 . P . . c17535_2lar 1 52 . . 2 2 3 3 G C3' C . . 2 2 3 3 G O3' O . . 2 2 4 4 C P P . . 2 2 4 4 C O5' O . 150.2 315.2 . . . B . 12 G C3' . . B . 12 G O3' . . B . 13 C P . . B . 13 C O5' . . . 12 . C3'' . . . . . 12 . O3'' . . . . . 13 . P . . . . . 13 . O5'' . . c17535_2lar 1 53 . . 2 2 3 3 G O3' O . . 2 2 4 4 C P P . . 2 2 4 4 C O5' O . . 2 2 4 4 C C5' C . 270.3 330.3 . . . B . 12 G O3' . . B . 13 C P . . B . 13 C O5' . . B . 13 C C5' . . . 12 . O3'' . . . . . 13 . P . . . . . 13 . O5'' . . . . . 13 . C5'' . . c17535_2lar 1 54 . . 2 2 4 4 C P P . . 2 2 4 4 C O5' O . . 2 2 4 4 C C5' C . . 2 2 4 4 C C4' C . 135.4 215.4 . . . B . 13 C P . . B . 13 C O5' . . B . 13 C C5' . . B . 13 C C4' . . . 13 . P . . . . . 13 . O5'' . . . . . 13 . C5'' . . . . . 13 . C4'' . . c17535_2lar 1 55 . . 2 2 4 4 C O5' O . . 2 2 4 4 C C5' C . . 2 2 4 4 C C4' C . . 2 2 4 4 C C3' C . 30.5 90.5 . . . B . 13 C O5' . . B . 13 C C5' . . B . 13 C C4' . . B . 13 C C3' . . . 13 . O5'' . . . . . 13 . C5'' . . . . . 13 . C4'' . . . . . 13 . C3'' . . c17535_2lar 1 56 . . 2 2 4 4 C C4' C . . 2 2 4 4 C C3' C . . 2 2 4 4 C O3' O . . 2 2 5 5 A P P . 199.1 209.1 . . . B . 13 C C4' . . B . 13 C C3' . . B . 13 C O3' . . B . 14 A P . . . 13 . C4'' . . . . . 13 . C3'' . . . . . 13 . O3'' . . . . . 14 . P . . c17535_2lar 1 57 . . 2 2 4 4 C C3' C . . 2 2 4 4 C O3' O . . 2 2 5 5 A P P . . 2 2 5 5 A O5' O . 150.2 315.2 . . . B . 13 C C3' . . B . 13 C O3' . . B . 14 A P . . B . 14 A O5' . . . 13 . C3'' . . . . . 13 . O3'' . . . . . 14 . P . . . . . 14 . O5'' . . c17535_2lar 1 58 . . 2 2 4 4 C O3' O . . 2 2 5 5 A P P . . 2 2 5 5 A O5' O . . 2 2 5 5 A C5' C . 270.3 330.3 . . . B . 13 C O3' . . B . 14 A P . . B . 14 A O5' . . B . 14 A C5' . . . 13 . O3'' . . . . . 14 . P . . . . . 14 . O5'' . . . . . 14 . C5'' . . c17535_2lar 1 59 . . 2 2 5 5 A P P . . 2 2 5 5 A O5' O . . 2 2 5 5 A C5' C . . 2 2 5 5 A C4' C . 135.4 215.4 . . . B . 14 A P . . B . 14 A O5' . . B . 14 A C5' . . B . 14 A C4' . . . 14 . P . . . . . 14 . O5'' . . . . . 14 . C5'' . . . . . 14 . C4'' . . c17535_2lar 1 60 . . 2 2 5 5 A O5' O . . 2 2 5 5 A C5' C . . 2 2 5 5 A C4' C . . 2 2 5 5 A C3' C . 30.5 90.5 . . . B . 14 A O5' . . B . 14 A C5' . . B . 14 A C4' . . B . 14 A C3' . . . 14 . O5'' . . . . . 14 . C5'' . . . . . 14 . C4'' . . . . . 14 . C3'' . . c17535_2lar 1 61 . . 2 2 5 5 A C4' C . . 2 2 5 5 A C3' C . . 2 2 5 5 A O3' O . . 2 2 6 6 C P P . 203.0 213.0 . . . B . 14 A C4' . . B . 14 A C3' . . B . 14 A O3' . . B . 15 C P . . . 14 . C4'' . . . . . 14 . C3'' . . . . . 14 . O3'' . . . . . 15 . P . . c17535_2lar 1 62 . . 2 2 5 5 A C3' C . . 2 2 5 5 A O3' O . . 2 2 6 6 C P P . . 2 2 6 6 C O5' O . 150.2 315.2 . . . B . 14 A C3' . . B . 14 A O3' . . B . 15 C P . . B . 15 C O5' . . . 14 . C3'' . . . . . 14 . O3'' . . . . . 15 . P . . . . . 15 . O5'' . . c17535_2lar 1 63 . . 2 2 5 5 A O3' O . . 2 2 6 6 C P P . . 2 2 6 6 C O5' O . . 2 2 6 6 C C5' C . 270.3 330.3 . . . B . 14 A O3' . . B . 15 C P . . B . 15 C O5' . . B . 15 C C5' . . . 14 . O3'' . . . . . 15 . P . . . . . 15 . O5'' . . . . . 15 . C5'' . . c17535_2lar 1 64 . . 2 2 6 6 C P P . . 2 2 6 6 C O5' O . . 2 2 6 6 C C5' C . . 2 2 6 6 C C4' C . 135.4 215.4 . . . B . 15 C P . . B . 15 C O5' . . B . 15 C C5' . . B . 15 C C4' . . . 15 . P . . . . . 15 . O5'' . . . . . 15 . C5'' . . . . . 15 . C4'' . . c17535_2lar 1 65 . . 2 2 6 6 C O5' O . . 2 2 6 6 C C5' C . . 2 2 6 6 C C4' C . . 2 2 6 6 C C3' C . 30.5 90.5 . . . B . 15 C O5' . . B . 15 C C5' . . B . 15 C C4' . . B . 15 C C3' . . . 15 . O5'' . . . . . 15 . C5'' . . . . . 15 . C4'' . . . . . 15 . C3'' . . c17535_2lar 1 66 . . 2 2 6 6 C C4' C . . 2 2 6 6 C C3' C . . 2 2 6 6 C O3' O . . 2 2 7 7 C P P . 199.1 219.1 . . . B . 15 C C4' . . B . 15 C C3' . . B . 15 C O3' . . B . 16 C P . . . 15 . C4'' . . . . . 15 . C3'' . . . . . 15 . O3'' . . . . . 16 . P . . c17535_2lar 1 67 . . 2 2 6 6 C C3' C . . 2 2 6 6 C O3' O . . 2 2 7 7 C P P . . 2 2 7 7 C O5' O . 150.2 315.2 . . . B . 15 C C3' . . B . 15 C O3' . . B . 16 C P . . B . 16 C O5' . . . 15 . C3'' . . . . . 15 . O3'' . . . . . 16 . P . . . . . 16 . O5'' . . c17535_2lar 1 68 . . 2 2 6 6 C O3' O . . 2 2 7 7 C P P . . 2 2 7 7 C O5' O . . 2 2 7 7 C C5' C . 270.3 330.3 . . . B . 15 C O3' . . B . 16 C P . . B . 16 C O5' . . B . 16 C C5' . . . 15 . O3'' . . . . . 16 . P . . . . . 16 . O5'' . . . . . 16 . C5'' . . c17535_2lar 1 69 . . 2 2 7 7 C P P . . 2 2 7 7 C O5' O . . 2 2 7 7 C C5' C . . 2 2 7 7 C C4' C . 135.4 215.4 . . . B . 16 C P . . B . 16 C O5' . . B . 16 C C5' . . B . 16 C C4' . . . 16 . P . . . . . 16 . O5'' . . . . . 16 . C5'' . . . . . 16 . C4'' . . c17535_2lar 1 70 . . 2 2 7 7 C O5' O . . 2 2 7 7 C C5' C . . 2 2 7 7 C C4' C . . 2 2 7 7 C C3' C . 30.5 90.5 . . . B . 16 C O5' . . B . 16 C C5' . . B . 16 C C4' . . B . 16 C C3' . . . 16 . O5'' . . . . . 16 . C5'' . . . . . 16 . C4'' . . . . . 16 . C3'' . . c17535_2lar 1 71 . . 2 2 7 7 C C4' C . . 2 2 7 7 C C3' C . . 2 2 7 7 C O3' O . . 2 2 8 8 A P P . 198.0 208.0 . . . B . 16 C C4' . . B . 16 C C3' . . B . 16 C O3' . . B . 17 A P . . . 16 . C4'' . . . . . 16 . C3'' . . . . . 16 . O3'' . . . . . 17 . P . . c17535_2lar 1 72 . . 2 2 7 7 C C3' C . . 2 2 7 7 C O3' O . . 2 2 8 8 A P P . . 2 2 8 8 A O5' O . 150.2 315.2 . . . B . 16 C C3' . . B . 16 C O3' . . B . 17 A P . . B . 17 A O5' . . . 16 . C3'' . . . . . 16 . O3'' . . . . . 17 . P . . . . . 17 . O5'' . . c17535_2lar 1 73 . . 2 2 7 7 C O3' O . . 2 2 8 8 A P P . . 2 2 8 8 A O5' O . . 2 2 8 8 A C5' C . 270.3 330.3 . . . B . 16 C O3' . . B . 17 A P . . B . 17 A O5' . . B . 17 A C5' . . . 16 . O3'' . . . . . 17 . P . . . . . 17 . O5'' . . . . . 17 . C5'' . . c17535_2lar 1 74 . . 2 2 8 8 A P P . . 2 2 8 8 A O5' O . . 2 2 8 8 A C5' C . . 2 2 8 8 A C4' C . 135.4 215.4 . . . B . 17 A P . . B . 17 A O5' . . B . 17 A C5' . . B . 17 A C4' . . . 17 . P . . . . . 17 . O5'' . . . . . 17 . C5'' . . . . . 17 . C4'' . . c17535_2lar 1 75 . . 2 2 8 8 A O5' O . . 2 2 8 8 A C5' C . . 2 2 8 8 A C4' C . . 2 2 8 8 A C3' C . 30.5 90.5 . . . B . 17 A O5' . . B . 17 A C5' . . B . 17 A C4' . . B . 17 A C3' . . . 17 . O5'' . . . . . 17 . C5'' . . . . . 17 . C4'' . . . . . 17 . C3'' . . c17535_2lar 1 76 . . 2 2 8 8 A C4' C . . 2 2 8 8 A C3' C . . 2 2 8 8 A O3' O . . 2 2 9 9 U P P . 202.0 212.0 . . . B . 17 A C4' . . B . 17 A C3' . . B . 17 A O3' . . B . 18 U P . . . 17 . C4'' . . . . . 17 . C3'' . . . . . 17 . O3'' . . . . . 18 . P . . c17535_2lar 1 77 . . 2 2 8 8 A C3' C . . 2 2 8 8 A O3' O . . 2 2 9 9 U P P . . 2 2 9 9 U O5' O . 150.2 315.2 . . . B . 17 A C3' . . B . 17 A O3' . . B . 18 U P . . B . 18 U O5' . . . 17 . C3'' . . . . . 17 . O3'' . . . . . 18 . P . . . . . 18 . O5'' . . c17535_2lar 1 78 . . 2 2 8 8 A O3' O . . 2 2 9 9 U P P . . 2 2 9 9 U O5' O . . 2 2 9 9 U C5' C . 270.3 330.3 . . . B . 17 A O3' . . B . 18 U P . . B . 18 U O5' . . B . 18 U C5' . . . 17 . O3'' . . . . . 18 . P . . . . . 18 . O5'' . . . . . 18 . C5'' . . c17535_2lar 1 79 . . 2 2 9 9 U P P . . 2 2 9 9 U O5' O . . 2 2 9 9 U C5' C . . 2 2 9 9 U C4' C . 135.4 215.4 . . . B . 18 U P . . B . 18 U O5' . . B . 18 U C5' . . B . 18 U C4' . . . 18 . P . . . . . 18 . O5'' . . . . . 18 . C5'' . . . . . 18 . C4'' . . c17535_2lar 1 80 . . 2 2 9 9 U O5' O . . 2 2 9 9 U C5' C . . 2 2 9 9 U C4' C . . 2 2 9 9 U C3' C . 30.5 90.5 . . . B . 18 U O5' . . B . 18 U C5' . . B . 18 U C4' . . B . 18 U C3' . . . 18 . O5'' . . . . . 18 . C5'' . . . . . 18 . C4'' . . . . . 18 . C3'' . . c17535_2lar 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; BPR epsilon calc CTNOESY torsion angle constraint number t gamma ; 1 1 3 44 c17535_2lar 1 2 ; ============================================================================ torsion angle constraint number 1 epsilon ; 8 1 9 46 c17535_2lar 1 3 'torsion angle constraint number 2 zeta' 14 1 14 43 c17535_2lar 1 4 'torsion angle constraint number 3 alpha' 19 1 19 44 c17535_2lar 1 5 'torsion angle constraint number 4 beta' 24 1 24 44 c17535_2lar 1 6 'torsion angle constraint number 5 gamma' 29 1 29 45 c17535_2lar 1 7 ; ================================================================================= torsion angle constraint number 1 epsilon ; 34 1 35 46 c17535_2lar 1 8 'torsion angle constraint number 2 zeta' 40 1 40 43 c17535_2lar 1 9 'torsion angle constraint number 3 alpha' 45 1 45 44 c17535_2lar 1 10 'torsion angle constraint number 4 beta' 50 1 50 44 c17535_2lar 1 11 'torsion angle constraint number 5 gamma' 55 1 55 45 c17535_2lar 1 12 ; ============================================================================== torsion angle constraint number 1 epsilon ; 60 1 61 46 c17535_2lar 1 13 'torsion angle constraint number 2 zeta' 66 1 66 43 c17535_2lar 1 14 'torsion angle constraint number 3 alpha' 71 1 71 44 c17535_2lar 1 15 'torsion angle constraint number 4 beta' 76 1 76 44 c17535_2lar 1 16 'torsion angle constraint number 5 gamma' 81 1 81 45 c17535_2lar 1 17 ; =========================================================================== torsion angle constraint number 2 zeta ; 86 1 87 43 c17535_2lar 1 18 'torsion angle constraint number 3 alpha' 92 1 92 44 c17535_2lar 1 19 'torsion angle constraint number 4 beta' 97 1 97 44 c17535_2lar 1 20 'torsion angle constraint number 5 gamma' 102 1 102 45 c17535_2lar 1 21 ; ============================================================================ torsion angle constraint number 1 epsilon ; 107 1 108 46 c17535_2lar 1 22 'torsion angle constraint number 2 zeta' 113 1 113 43 c17535_2lar 1 23 'torsion angle constraint number 3 alpha' 118 1 118 44 c17535_2lar 1 24 'torsion angle constraint number 4 beta' 123 1 123 44 c17535_2lar 1 25 'torsion angle constraint number 5 gamma' 128 1 128 45 c17535_2lar 1 26 ; =========================================================================== torsion angle constraint number 1 epsilon ; 133 1 135 46 c17535_2lar 1 27 'torsion angle constraint number 2 zeta' 140 1 140 43 c17535_2lar 1 28 'torsion angle constraint number 3 alpha' 145 1 145 44 c17535_2lar 1 29 'torsion angle constraint number 4 beta' 150 1 150 44 c17535_2lar 1 30 'torsion angle constraint number 5 gamma' 155 1 155 45 c17535_2lar 1 31 ; =========================================================================== torsion angle constraint number 1 epsilon ; 160 1 161 46 c17535_2lar 1 32 'torsion angle constraint number 2 zeta' 166 1 166 43 c17535_2lar 1 33 'torsion angle constraint number 3 alpha' 171 1 171 44 c17535_2lar 1 34 'torsion angle constraint number 4 beta' 176 1 176 44 c17535_2lar 1 35 'torsion angle constraint number 5 gamma' 181 1 181 45 c17535_2lar 1 36 ; ========================================================================= torsion angle constraint number 1 epsilon ; 186 1 187 46 c17535_2lar 1 37 'torsion angle constraint number 2 zeta' 192 1 192 43 c17535_2lar 1 38 'torsion angle constraint number 3 alpha' 197 1 197 44 c17535_2lar 1 39 'torsion angle constraint number 4 beta' 202 1 202 44 c17535_2lar 1 40 'torsion angle constraint number 5 gamma' 207 1 207 45 c17535_2lar 1 41 ; 2nd Strand ============================================================ torsion angle constraint number 1 epsilon ; 213 1 214 46 c17535_2lar 1 42 'torsion angle constraint number 2 zeta' 219 1 219 43 c17535_2lar 1 43 'torsion angle constraint number 3 alpha' 224 1 224 44 c17535_2lar 1 44 'torsion angle constraint number 4 beta' 229 1 229 44 c17535_2lar 1 45 'torsion angle constraint number 5 gamma' 234 1 234 44 c17535_2lar 1 46 ; ======================================================================== torsion angle constraint number 1 epsilon ; 239 1 240 46 c17535_2lar 1 47 'torsion angle constraint number 2 zeta' 245 1 245 43 c17535_2lar 1 48 'torsion angle constraint number 3 alpha' 250 1 250 44 c17535_2lar 1 49 'torsion angle constraint number 4 beta' 255 1 255 44 c17535_2lar 1 50 'torsion angle constraint number 5 gamma' 260 1 260 45 c17535_2lar 1 51 ; ============================================================= torsion angle constraint number 1 epsilon ; 265 1 266 46 c17535_2lar 1 52 'torsion angle constraint number 2 zeta' 271 1 271 43 c17535_2lar 1 53 'torsion angle constraint number 3 alpha' 276 1 276 44 c17535_2lar 1 54 'torsion angle constraint number 4 beta' 281 1 281 44 c17535_2lar 1 55 'torsion angle constraint number 5 gamma' 286 1 286 45 c17535_2lar 1 56 ; ================================================================== torsion angle constraint number 1 epsilon ; 292 1 293 46 c17535_2lar 1 57 'torsion angle constraint number 2 zeta' 298 1 298 43 c17535_2lar 1 58 'torsion angle constraint number 3 alpha' 303 1 303 44 c17535_2lar 1 59 'torsion angle constraint number 4 beta' 308 1 308 44 c17535_2lar 1 60 'torsion angle constraint number 5 gamma' 313 1 313 45 c17535_2lar 1 61 ; ========================================================================= torsion angle constraint number 1 epsilon ; 318 1 319 46 c17535_2lar 1 62 'torsion angle constraint number 2 zeta' 324 1 324 43 c17535_2lar 1 63 'torsion angle constraint number 3 alpha' 329 1 329 44 c17535_2lar 1 64 'torsion angle constraint number 4 beta' 334 1 334 44 c17535_2lar 1 65 'torsion angle constraint number 5 gamma' 339 1 339 45 c17535_2lar 1 66 ; ======================================================================== torsion angle constraint number 1 epsilon ; 344 1 345 46 c17535_2lar 1 67 'torsion angle constraint number 2 zeta' 350 1 350 43 c17535_2lar 1 68 'torsion angle constraint number 3 alpha' 355 1 355 44 c17535_2lar 1 69 'torsion angle constraint number 4 beta' 360 1 360 44 c17535_2lar 1 70 'torsion angle constraint number 5 gamma' 365 1 365 45 c17535_2lar 1 71 ; ========================================================================= torsion angle constraint number 1 epsilon ; 370 1 371 46 c17535_2lar 1 72 'torsion angle constraint number 2 zeta' 376 1 376 43 c17535_2lar 1 73 'torsion angle constraint number 3 alpha' 381 1 381 44 c17535_2lar 1 74 'torsion angle constraint number 4 beta' 386 1 386 44 c17535_2lar 1 75 'torsion angle constraint number 5 gamma' 391 1 391 45 c17535_2lar 1 76 ; ======================================================================== torsion angle constraint number 1 epsilon ; 396 1 397 46 c17535_2lar 1 77 'torsion angle constraint number 2 zeta' 402 1 402 43 c17535_2lar 1 78 'torsion angle constraint number 3 alpha' 407 1 407 44 c17535_2lar 1 79 'torsion angle constraint number 4 beta' 412 1 412 44 c17535_2lar 1 80 'torsion angle constraint number 5 gamma' 417 1 417 45 c17535_2lar 1 81 ============================================================================== 422 1 422 80 c17535_2lar 1 stop_ save_ save_AMBER_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode AMBER_dihedral_4 _Torsion_angle_constraint_list.Entry_ID c17535_2lar _Torsion_angle_constraint_list.ID 2 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c17535_2lar 2 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; 578 atoms read from pdb file BPR.pdb. 1 ADE NU0: (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -47.6 -17.6 ; 1 1 2 74 c17535_2lar 2 2 "1 ADE NU1: (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3') 18.8 48.8" 7 1 7 74 c17535_2lar 2 3 "1 ADE NU2: (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -36.6 -6.6" 12 1 12 74 c17535_2lar 2 4 "1 ADE NU3: (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4') -15.0 18.1" 17 1 17 74 c17535_2lar 2 5 "1 ADE NU4: (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1') 4.2 34.2" 22 1 22 74 c17535_2lar 2 6 "2 THY NU0: (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -42.6 -12.6" 27 1 27 70 c17535_2lar 2 7 "2 THY NU1: (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3') 21.6 51.6" 32 1 32 70 c17535_2lar 2 8 "2 THY NU2: (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -44.4 -14.4" 37 1 37 70 c17535_2lar 2 9 "2 THY NU3: (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4') -2.6 27.4" 42 1 42 70 c17535_2lar 2 10 "2 THY NU4: (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -5.5 24.5" 47 1 47 70 c17535_2lar 2 11 "4 GUA NU0: (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -43.3 -13.3" 52 1 52 70 c17535_2lar 2 12 "4 GUA NU1: (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3') 19.2 49.2" 57 1 57 70 c17535_2lar 2 13 "4 GUA NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -38.9 -8.9" 62 1 62 70 c17535_2lar 2 14 "4 GUA NU3: (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') -13.8 26.7" 67 1 67 70 c17535_2lar 2 15 "4 GUA NU4: (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -5.3 32.3" 72 1 72 70 c17535_2lar 2 16 "5 THY NU0: (5 BPR C4')-(5 BPR O4')-(5 BPR C1')-(5 BPR C2') -51.4 -21.4" 77 1 77 74 c17535_2lar 2 17 "5 THY NU1: (5 BPR O4')-(5 BPR C1')-(5 BPR C2')-(5 BPR C3') 15.3 45.3" 82 1 82 74 c17535_2lar 2 18 "5 THY NU2: (5 BPR C1')-(5 BPR C2')-(5 BPR C3')-(5 BPR C4') -28.6 1.4" 87 1 87 74 c17535_2lar 2 19 "5 THY NU3: (5 BPR C2')-(5 BPR C3')-(5 BPR C4')-(5 BPR O4') -23.3 6.7" 92 1 92 74 c17535_2lar 2 20 "5 THY NU4: (5 BPR C3')-(5 BPR C4')-(5 BPR O4')-(5 BPR C1') 12.0 42.0" 97 1 97 74 c17535_2lar 2 21 "7 CYT NU0: (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -20.7 9.3" 102 1 102 70 c17535_2lar 2 22 "7 CYT NU1: (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') -31.6 -1.6" 107 1 107 70 c17535_2lar 2 23 "7 CYT NU2: (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') 17.6 47.6" 112 1 112 70 c17535_2lar 2 24 "7 CYT NU3: (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -51.4 -21.4" 117 1 117 70 c17535_2lar 2 25 "7 CYT NU4: (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1') 10.9 40.9" 122 1 122 70 c17535_2lar 2 26 "8 THY NU0: (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -47.2 -17.2" 127 1 127 70 c17535_2lar 2 27 "8 THY NU1: (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3') 21.1 51.1" 132 1 132 70 c17535_2lar 2 28 "8 THY NU2: (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -40.6 -10.6" 137 1 137 70 c17535_2lar 2 29 "8 THY NU3: (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4') -9.3 20.7" 142 1 142 70 c17535_2lar 2 30 "8 THY NU4: (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1') 1.5 31.5" 147 1 147 70 c17535_2lar 2 31 "9 CYT NU0: (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -47.9 -17.9" 152 1 152 74 c17535_2lar 2 32 "9 CYT NU1: (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3') 15.6 45.6" 157 1 157 74 c17535_2lar 2 33 "9 CYT NU2: (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -34.3 0.0" 162 1 162 74 c17535_2lar 2 34 "9 CYT NU3: (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4') -22.6 17.5" 167 1 167 74 c17535_2lar 2 35 "9 CYT NU4: (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1') 6.1 36.6" 172 1 172 74 c17535_2lar 2 36 ============================================================================ 176 1 176 78 c17535_2lar 2 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 4 1 1 "Not handling restraint 1, resonance(s) '2lar_ambr001.1.C4'' (nmrStar names),'2lar_ambr001.1.O4'' (nmrStar names),'2lar_ambr001.1.C1'' (nmrStar names),'2lar_ambr001.1.C2'' (nmrStar names) not linked" c17535_2lar 2 2 4 2 1 "Not handling restraint 2, resonance(s) '2lar_ambr001.1.O4'' (nmrStar names),'2lar_ambr001.1.C1'' (nmrStar names),'2lar_ambr001.1.C2'' (nmrStar names),'2lar_ambr001.1.C3'' (nmrStar names) not linked" c17535_2lar 2 3 4 3 1 "Not handling restraint 3, resonance(s) '2lar_ambr001.1.C1'' (nmrStar names),'2lar_ambr001.1.C2'' (nmrStar names),'2lar_ambr001.1.C3'' (nmrStar names),'2lar_ambr001.1.C4'' (nmrStar names) not linked" c17535_2lar 2 4 4 4 1 "Not handling restraint 4, resonance(s) '2lar_ambr001.1.C2'' (nmrStar names),'2lar_ambr001.1.C3'' (nmrStar names),'2lar_ambr001.1.C4'' (nmrStar names),'2lar_ambr001.1.O4'' (nmrStar names) not linked" c17535_2lar 2 5 4 5 1 "Not handling restraint 5, resonance(s) '2lar_ambr001.1.C3'' (nmrStar names),'2lar_ambr001.1.C4'' (nmrStar names),'2lar_ambr001.1.O4'' (nmrStar names),'2lar_ambr001.1.C1'' (nmrStar names) not linked" c17535_2lar 2 6 4 6 1 "Not handling restraint 6, resonance(s) '2lar_ambr001.2.C4'' (nmrStar names),'2lar_ambr001.2.O4'' (nmrStar names),'2lar_ambr001.2.C1'' (nmrStar names),'2lar_ambr001.2.C2'' (nmrStar names) not linked" c17535_2lar 2 7 4 7 1 "Not handling restraint 7, resonance(s) '2lar_ambr001.2.O4'' (nmrStar names),'2lar_ambr001.2.C1'' (nmrStar names),'2lar_ambr001.2.C2'' (nmrStar names),'2lar_ambr001.2.C3'' (nmrStar names) not linked" c17535_2lar 2 8 4 8 1 "Not handling restraint 8, resonance(s) '2lar_ambr001.2.C1'' (nmrStar names),'2lar_ambr001.2.C2'' (nmrStar names),'2lar_ambr001.2.C3'' (nmrStar names),'2lar_ambr001.2.C4'' (nmrStar names) not linked" c17535_2lar 2 9 4 9 1 "Not handling restraint 9, resonance(s) '2lar_ambr001.2.C2'' (nmrStar names),'2lar_ambr001.2.C3'' (nmrStar names),'2lar_ambr001.2.C4'' (nmrStar names),'2lar_ambr001.2.O4'' (nmrStar names) not linked" c17535_2lar 2 10 4 10 1 "Not handling restraint 10, resonance(s) '2lar_ambr001.2.C3'' (nmrStar names),'2lar_ambr001.2.C4'' (nmrStar names),'2lar_ambr001.2.O4'' (nmrStar names),'2lar_ambr001.2.C1'' (nmrStar names) not linked" c17535_2lar 2 11 4 11 1 "Not handling restraint 11, resonance(s) '2lar_ambr001.4.C4'' (nmrStar names),'2lar_ambr001.4.O4'' (nmrStar names),'2lar_ambr001.4.C1'' (nmrStar names),'2lar_ambr001.4.C2'' (nmrStar names) not linked" c17535_2lar 2 12 4 12 1 "Not handling restraint 12, resonance(s) '2lar_ambr001.4.O4'' (nmrStar names),'2lar_ambr001.4.C1'' (nmrStar names),'2lar_ambr001.4.C2'' (nmrStar names),'2lar_ambr001.4.C3'' (nmrStar names) not linked" c17535_2lar 2 13 4 13 1 "Not handling restraint 13, resonance(s) '2lar_ambr001.4.C1'' (nmrStar names),'2lar_ambr001.4.C2'' (nmrStar names),'2lar_ambr001.4.C3'' (nmrStar names),'2lar_ambr001.4.C4'' (nmrStar names) not linked" c17535_2lar 2 14 4 14 1 "Not handling restraint 14, resonance(s) '2lar_ambr001.4.C2'' (nmrStar names),'2lar_ambr001.4.C3'' (nmrStar names),'2lar_ambr001.4.C4'' (nmrStar names),'2lar_ambr001.4.O4'' (nmrStar names) not linked" c17535_2lar 2 15 4 15 1 "Not handling restraint 15, resonance(s) '2lar_ambr001.4.C3'' (nmrStar names),'2lar_ambr001.4.C4'' (nmrStar names),'2lar_ambr001.4.O4'' (nmrStar names),'2lar_ambr001.4.C1'' (nmrStar names) not linked" c17535_2lar 2 16 4 16 1 "Not handling restraint 16, resonance(s) '2lar_ambr001.5.C4'' (nmrStar names),'2lar_ambr001.5.O4'' (nmrStar names),'2lar_ambr001.5.C1'' (nmrStar names),'2lar_ambr001.5.C2'' (nmrStar names) not linked" c17535_2lar 2 17 4 17 1 "Not handling restraint 17, resonance(s) '2lar_ambr001.5.O4'' (nmrStar names),'2lar_ambr001.5.C1'' (nmrStar names),'2lar_ambr001.5.C2'' (nmrStar names),'2lar_ambr001.5.C3'' (nmrStar names) not linked" c17535_2lar 2 18 4 18 1 "Not handling restraint 18, resonance(s) '2lar_ambr001.5.C1'' (nmrStar names),'2lar_ambr001.5.C2'' (nmrStar names),'2lar_ambr001.5.C3'' (nmrStar names),'2lar_ambr001.5.C4'' (nmrStar names) not linked" c17535_2lar 2 19 4 19 1 "Not handling restraint 19, resonance(s) '2lar_ambr001.5.C2'' (nmrStar names),'2lar_ambr001.5.C3'' (nmrStar names),'2lar_ambr001.5.C4'' (nmrStar names),'2lar_ambr001.5.O4'' (nmrStar names) not linked" c17535_2lar 2 20 4 20 1 "Not handling restraint 20, resonance(s) '2lar_ambr001.5.C3'' (nmrStar names),'2lar_ambr001.5.C4'' (nmrStar names),'2lar_ambr001.5.O4'' (nmrStar names),'2lar_ambr001.5.C1'' (nmrStar names) not linked" c17535_2lar 2 21 4 21 1 "Not handling restraint 21, resonance(s) '2lar_ambr001.7.C4'' (nmrStar names),'2lar_ambr001.7.O4'' (nmrStar names),'2lar_ambr001.7.C1'' (nmrStar names),'2lar_ambr001.7.C2'' (nmrStar names) not linked" c17535_2lar 2 22 4 22 1 "Not handling restraint 22, resonance(s) '2lar_ambr001.7.O4'' (nmrStar names),'2lar_ambr001.7.C1'' (nmrStar names),'2lar_ambr001.7.C2'' (nmrStar names),'2lar_ambr001.7.C3'' (nmrStar names) not linked" c17535_2lar 2 23 4 23 1 "Not handling restraint 23, resonance(s) '2lar_ambr001.7.C1'' (nmrStar names),'2lar_ambr001.7.C2'' (nmrStar names),'2lar_ambr001.7.C3'' (nmrStar names),'2lar_ambr001.7.C4'' (nmrStar names) not linked" c17535_2lar 2 24 4 24 1 "Not handling restraint 24, resonance(s) '2lar_ambr001.7.C2'' (nmrStar names),'2lar_ambr001.7.C3'' (nmrStar names),'2lar_ambr001.7.C4'' (nmrStar names),'2lar_ambr001.7.O4'' (nmrStar names) not linked" c17535_2lar 2 25 4 25 1 "Not handling restraint 25, resonance(s) '2lar_ambr001.7.C3'' (nmrStar names),'2lar_ambr001.7.C4'' (nmrStar names),'2lar_ambr001.7.O4'' (nmrStar names),'2lar_ambr001.7.C1'' (nmrStar names) not linked" c17535_2lar 2 26 4 26 1 "Not handling restraint 26, resonance(s) '2lar_ambr001.8.C4'' (nmrStar names),'2lar_ambr001.8.O4'' (nmrStar names),'2lar_ambr001.8.C1'' (nmrStar names),'2lar_ambr001.8.C2'' (nmrStar names) not linked" c17535_2lar 2 27 4 27 1 "Not handling restraint 27, resonance(s) '2lar_ambr001.8.O4'' (nmrStar names),'2lar_ambr001.8.C1'' (nmrStar names),'2lar_ambr001.8.C2'' (nmrStar names),'2lar_ambr001.8.C3'' (nmrStar names) not linked" c17535_2lar 2 28 4 28 1 "Not handling restraint 28, resonance(s) '2lar_ambr001.8.C1'' (nmrStar names),'2lar_ambr001.8.C2'' (nmrStar names),'2lar_ambr001.8.C3'' (nmrStar names),'2lar_ambr001.8.C4'' (nmrStar names) not linked" c17535_2lar 2 29 4 29 1 "Not handling restraint 29, resonance(s) '2lar_ambr001.8.C2'' (nmrStar names),'2lar_ambr001.8.C3'' (nmrStar names),'2lar_ambr001.8.C4'' (nmrStar names),'2lar_ambr001.8.O4'' (nmrStar names) not linked" c17535_2lar 2 30 4 30 1 "Not handling restraint 30, resonance(s) '2lar_ambr001.8.C3'' (nmrStar names),'2lar_ambr001.8.C4'' (nmrStar names),'2lar_ambr001.8.O4'' (nmrStar names),'2lar_ambr001.8.C1'' (nmrStar names) not linked" c17535_2lar 2 31 4 31 1 "Not handling restraint 31, resonance(s) '2lar_ambr001.9.C4'' (nmrStar names),'2lar_ambr001.9.O4'' (nmrStar names),'2lar_ambr001.9.C1'' (nmrStar names),'2lar_ambr001.9.C2'' (nmrStar names) not linked" c17535_2lar 2 32 4 32 1 "Not handling restraint 32, resonance(s) '2lar_ambr001.9.O4'' (nmrStar names),'2lar_ambr001.9.C1'' (nmrStar names),'2lar_ambr001.9.C2'' (nmrStar names),'2lar_ambr001.9.C3'' (nmrStar names) not linked" c17535_2lar 2 33 4 33 1 "Not handling restraint 33, resonance(s) '2lar_ambr001.9.C1'' (nmrStar names),'2lar_ambr001.9.C2'' (nmrStar names),'2lar_ambr001.9.C3'' (nmrStar names),'2lar_ambr001.9.C4'' (nmrStar names) not linked" c17535_2lar 2 34 4 34 1 "Not handling restraint 34, resonance(s) '2lar_ambr001.9.C2'' (nmrStar names),'2lar_ambr001.9.C3'' (nmrStar names),'2lar_ambr001.9.C4'' (nmrStar names),'2lar_ambr001.9.O4'' (nmrStar names) not linked" c17535_2lar 2 35 4 35 1 "Not handling restraint 35, resonance(s) '2lar_ambr001.9.C3'' (nmrStar names),'2lar_ambr001.9.C4'' (nmrStar names),'2lar_ambr001.9.O4'' (nmrStar names),'2lar_ambr001.9.C1'' (nmrStar names) not linked" c17535_2lar 2 stop_ save_ save_AMBER_dipolar_coupling_6 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Sf_framecode AMBER_dipolar_coupling_6 _RDC_constraint_list.Entry_ID c17535_2lar _RDC_constraint_list.ID 1 _RDC_constraint_list.Details 'Generated by Wattos' _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 6 loop_ _RDC_constraint_software.Software_ID _RDC_constraint_software.Software_label _RDC_constraint_software.Method_ID _RDC_constraint_software.Method_label _RDC_constraint_software.Entry_ID _RDC_constraint_software.RDC_constraint_list_ID . . . . c17535_2lar 1 stop_ loop_ _RDC_constraint_parse_err.ID _RDC_constraint_parse_err.Content _RDC_constraint_parse_err.Begin_line _RDC_constraint_parse_err.Begin_column _RDC_constraint_parse_err.End_line _RDC_constraint_parse_err.End_column _RDC_constraint_parse_err.Entry_ID _RDC_constraint_parse_err.RDC_constraint_list_ID 1 '&align ndip=45, dcut=0.0, freezemol=True, s11=20.006, s22=3.184, s12=17.965, s13=3.181, s23=-0.072,' 1 2 3 60 c17535_2lar 1 2 '(1)= 7.84665, dij(1)= 1.09, dwt(1)=1.00000,' 4 64 4 106 c17535_2lar 1 3 '(2)= 7.84665, dij(2)= 1.09, dwt(2)=1.00000,' 5 63 5 105 c17535_2lar 1 4 '(3)= 7.84665, dij(3)= 1.09, dwt(3)=1.00000,' 6 63 6 105 c17535_2lar 1 5 '(4)= 7.84665, dij(4)= 1.09, dwt(4)=1.00000,' 7 67 7 109 c17535_2lar 1 6 '(5)= 7.84665, dij(5)= 1.09, dwt(5)=1.00000,' 8 65 8 107 c17535_2lar 1 7 '(6)= 7.84665, dij(6)= 1.09, dwt(6)=1.00000,' 9 65 9 107 c17535_2lar 1 8 '(7)= 7.84665, dij(7)= 1.09, dwt(7)=1.00000,' 10 65 10 107 c17535_2lar 1 9 '(8)= 7.84665, dij(8)= 1.09, dwt(8)=1.00000,' 11 65 11 107 c17535_2lar 1 10 '(9)= 7.84665, dij(9)= 1.09, dwt(9)=1.00000,' 12 65 12 107 c17535_2lar 1 11 '(10)= 7.84665, dij(10)= 1.09, dwt(10)=1.00000,' 13 71 13 116 c17535_2lar 1 12 '(11)= 7.84665, dij(11)= 1.09, dwt(11)=1.00000,' 14 71 14 116 c17535_2lar 1 13 '(12)= 7.84665, dij(12)= 1.09, dwt(12)=1.00000,' 15 71 15 116 c17535_2lar 1 14 '(13)= 7.84665, dij(13)= 1.09, dwt(13)=1.00000,' 16 71 16 116 c17535_2lar 1 15 '(14)= 7.84665, dij(14)= 1.09, dwt(14)=1.00000,' 17 67 17 112 c17535_2lar 1 16 '(15)= 7.84665, dij(15)= 1.09, dwt(15)=1.00000,' 18 69 18 114 c17535_2lar 1 17 '(16)= 7.84665, dij(16)= 1.09, dwt(16)=1.00000,' 19 69 19 114 c17535_2lar 1 18 '(17)= 7.84665, dij(17)= 1.09, dwt(17)=1.00000,' 20 69 20 114 c17535_2lar 1 19 '(18)= 7.84665, dij(18)= 1.09, dwt(18)=1.00000,' 21 69 21 114 c17535_2lar 1 20 '(19)= 7.84665, dij(19)= 1.09, dwt(19)=1.00000,' 22 67 22 112 c17535_2lar 1 21 '(20)= 7.84665, dij(20)= 1.09, dwt(20)=1.00000,' 23 67 23 112 c17535_2lar 1 22 '(21)= 7.84665, dij(21)= 1.09, dwt(21)=1.00000,' 24 67 24 112 c17535_2lar 1 23 '(22)= 7.84665, dij(22)= 1.09, dwt(22)=1.00000,' 25 69 25 114 c17535_2lar 1 24 '(23)= 7.84665, dij(23)= 1.09, dwt(23)=1.00000,' 26 69 26 114 c17535_2lar 1 25 '(24)= 7.84665, dij(24)= 1.09, dwt(24)=1.00000,' 27 69 27 114 c17535_2lar 1 26 '(25)= 7.84665, dij(25)= 1.09, dwt(25)=1.00000,' 28 69 28 114 c17535_2lar 1 27 '(26)= 7.84665, dij(26)= 1.09, dwt(26)=1.00000,' 29 69 29 114 c17535_2lar 1 28 '(27)= 7.84665, dij(27)= 1.09, dwt(27)=1.00000,' 30 69 30 114 c17535_2lar 1 29 '(28)= 7.84665, dij(28)= 1.09, dwt(28)=1.00000,' 31 69 31 114 c17535_2lar 1 30 '(29)= 7.84665, dij(29)= 1.09, dwt(29)=1.00000,' 32 69 32 114 c17535_2lar 1 31 '(30)= 7.84665, dij(30)= 1.09, dwt(30)=1.00000,' 33 69 33 114 c17535_2lar 1 32 '(31)= 7.84665, dij(31)= 1.09, dwt(31)=1.00000,' 34 69 34 114 c17535_2lar 1 33 '(32)= 7.84665, dij(32)= 1.09, dwt(32)=1.00000,' 35 69 35 114 c17535_2lar 1 34 '(33)= 7.84665, dij(33)= 1.09, dwt(33)=1.00000,' 36 69 36 114 c17535_2lar 1 35 '(34)= 7.84665, dij(34)= 1.09, dwt(34)=1.00000,' 37 69 37 114 c17535_2lar 1 36 '(35)= 7.84665, dij(35)= 1.09, dwt(35)=1.00000,' 38 69 38 114 c17535_2lar 1 37 '(36)= 7.84665, dij(36)= 1.09, dwt(36)=1.00000,' 39 69 39 114 c17535_2lar 1 38 '(37)= 7.84665, dij(37)= 1.09, dwt(37)=1.00000,' 40 68 40 113 c17535_2lar 1 39 '(38)= 7.84665, dij(38)= 1.09, dwt(38)=1.00000,' 41 69 41 114 c17535_2lar 1 40 '(39)= 7.84665, dij(39)= 1.09, dwt(39)=1.00000,' 42 69 42 114 c17535_2lar 1 41 '(40)= 7.84665, dij(40)= 1.09, dwt(40)=1.00000,' 43 69 43 114 c17535_2lar 1 42 '(41)= 7.84665, dij(41)= 1.09, dwt(41)=1.00000,' 44 69 44 114 c17535_2lar 1 43 '(42)= 7.84665, dij(42)= 1.09, dwt(42)=1.00000,' 45 69 45 114 c17535_2lar 1 44 '(43)= 7.84665, dij(43)= 1.09, dwt(43)=1.00000,' 46 70 46 115 c17535_2lar 1 45 '(44)= 7.84665, dij(44)= 1.09, dwt(44)=1.00000,' 47 70 47 115 c17535_2lar 1 46 '(45)= 7.84665, dij(45)= 1.09, dwt(45)=1.00000, /' 48 70 50 3 c17535_2lar 1 stop_ loop_ _RDC_constraint_conv_err.ID _RDC_constraint_conv_err.RDC_constr_parse_file_ID _RDC_constraint_conv_err.Parse_file_constraint_ID _RDC_constraint_conv_err.Conv_error_type _RDC_constraint_conv_err.Conv_error_note _RDC_constraint_conv_err.Entry_ID _RDC_constraint_conv_err.RDC_constraint_list_ID 1 6 1 1 "Not handling restraint 1, item 1, resonance(s) '2lar_ambr001.1.H1'' (nmrStar names),'2lar_ambr001.1.C1'' (nmrStar names) not linked" c17535_2lar 1 2 6 2 1 "Not handling restraint 2, item 1, resonance(s) '2lar_ambr001.2.C1'' (nmrStar names),'2lar_ambr001.2.H1'' (nmrStar names) not linked" c17535_2lar 1 3 6 3 1 "Not handling restraint 3, item 1, resonance(s) '2lar_ambr001.3.C1'' (nmrStar names),'2lar_ambr001.3.H1'' (nmrStar names) not linked" c17535_2lar 1 4 6 4 1 "Not handling restraint 4, item 1, resonance(s) '2lar_ambr001.4.C1'' (nmrStar names),'2lar_ambr001.4.H1'' (nmrStar names) not linked" c17535_2lar 1 5 6 5 1 "Not handling restraint 5, item 1, resonance(s) '2lar_ambr001.5.C1'' (nmrStar names),'2lar_ambr001.5.H1'' (nmrStar names) not linked" c17535_2lar 1 6 6 6 1 "Not handling restraint 6, item 1, resonance(s) '2lar_ambr001.6.C1'' (nmrStar names),'2lar_ambr001.6.H1'' (nmrStar names) not linked" c17535_2lar 1 7 6 7 1 "Not handling restraint 7, item 1, resonance(s) '2lar_ambr001.7.H1'' (nmrStar names),'2lar_ambr001.7.C1'' (nmrStar names) not linked" c17535_2lar 1 8 6 8 1 "Not handling restraint 8, item 1, resonance(s) '2lar_ambr001.8.C1'' (nmrStar names),'2lar_ambr001.8.H1'' (nmrStar names) not linked" c17535_2lar 1 9 6 9 1 "Not handling restraint 9, item 1, resonance(s) '2lar_ambr001.9.C1'' (nmrStar names),'2lar_ambr001.9.H1'' (nmrStar names) not linked" c17535_2lar 1 10 6 10 1 "Not handling restraint 10, item 1, resonance(s) '2lar_ambr002.1.C1'' (nmrStar names),'2lar_ambr002.1.H1'' (nmrStar names) not linked" c17535_2lar 1 11 6 11 1 "Not handling restraint 11, item 1, resonance(s) '2lar_ambr002.2.C1'' (nmrStar names),'2lar_ambr002.2.H1'' (nmrStar names) not linked" c17535_2lar 1 12 6 12 1 "Not handling restraint 12, item 1, resonance(s) '2lar_ambr002.3.C1'' (nmrStar names),'2lar_ambr002.3.H1'' (nmrStar names) not linked" c17535_2lar 1 13 6 13 1 "Not handling restraint 13, item 1, resonance(s) '2lar_ambr002.4.C1'' (nmrStar names),'2lar_ambr002.4.H1'' (nmrStar names) not linked" c17535_2lar 1 14 6 14 1 "Not handling restraint 14, item 1, resonance(s) '2lar_ambr002.5.C1'' (nmrStar names),'2lar_ambr002.5.H1'' (nmrStar names) not linked" c17535_2lar 1 15 6 15 1 "Not handling restraint 15, item 1, resonance(s) '2lar_ambr002.6.C1'' (nmrStar names),'2lar_ambr002.6.H1'' (nmrStar names) not linked" c17535_2lar 1 16 6 16 1 "Not handling restraint 16, item 1, resonance(s) '2lar_ambr002.7.C1'' (nmrStar names),'2lar_ambr002.7.H1'' (nmrStar names) not linked" c17535_2lar 1 17 6 17 1 "Not handling restraint 17, item 1, resonance(s) '2lar_ambr002.8.C1'' (nmrStar names),'2lar_ambr002.8.H1'' (nmrStar names) not linked" c17535_2lar 1 18 6 18 1 "Not handling restraint 18, item 1, resonance(s) '2lar_ambr002.9.C1'' (nmrStar names),'2lar_ambr002.9.H1'' (nmrStar names) not linked" c17535_2lar 1 19 6 19 1 "Not handling restraint 19, item 1, resonance(s) '2lar_ambr001.1.H8' (nmrStar names),'2lar_ambr001.1.C8' (nmrStar names) not linked" c17535_2lar 1 20 6 20 1 "Not handling restraint 20, item 1, resonance(s) '2lar_ambr001.2.C6' (nmrStar names),'2lar_ambr001.2.H6' (nmrStar names) not linked" c17535_2lar 1 21 6 21 1 "Not handling restraint 21, item 1, resonance(s) '2lar_ambr001.3.C8' (nmrStar names),'2lar_ambr001.3.H8' (nmrStar names) not linked" c17535_2lar 1 22 6 22 1 "Not handling restraint 22, item 1, resonance(s) '2lar_ambr001.4.H8' (nmrStar names),'2lar_ambr001.4.C8' (nmrStar names) not linked" c17535_2lar 1 23 6 23 1 "Not handling restraint 23, item 1, resonance(s) '2lar_ambr001.5.H6' (nmrStar names),'2lar_ambr001.5.C6' (nmrStar names) not linked" c17535_2lar 1 24 6 24 1 "Not handling restraint 24, item 1, resonance(s) '2lar_ambr001.6.H8' (nmrStar names),'2lar_ambr001.6.C8' (nmrStar names) not linked" c17535_2lar 1 25 6 25 1 "Not handling restraint 25, item 1, resonance(s) '2lar_ambr001.7.H6' (nmrStar names),'2lar_ambr001.7.C6' (nmrStar names) not linked" c17535_2lar 1 26 6 26 1 "Not handling restraint 26, item 1, resonance(s) '2lar_ambr001.8.C6' (nmrStar names),'2lar_ambr001.8.H6' (nmrStar names) not linked" c17535_2lar 1 27 6 27 1 "Not handling restraint 27, item 1, resonance(s) '2lar_ambr001.9.C6' (nmrStar names),'2lar_ambr001.9.H6' (nmrStar names) not linked" c17535_2lar 1 28 6 28 1 "Not handling restraint 28, item 1, resonance(s) '2lar_ambr002.1.C8' (nmrStar names),'2lar_ambr002.1.H8' (nmrStar names) not linked" c17535_2lar 1 29 6 29 1 "Not handling restraint 29, item 1, resonance(s) '2lar_ambr002.2.C8' (nmrStar names),'2lar_ambr002.2.H8' (nmrStar names) not linked" c17535_2lar 1 30 6 30 1 "Not handling restraint 30, item 1, resonance(s) '2lar_ambr002.3.C8' (nmrStar names),'2lar_ambr002.3.H8' (nmrStar names) not linked" c17535_2lar 1 31 6 31 1 "Not handling restraint 31, item 1, resonance(s) '2lar_ambr002.4.C6' (nmrStar names),'2lar_ambr002.4.H6' (nmrStar names) not linked" c17535_2lar 1 32 6 32 1 "Not handling restraint 32, item 1, resonance(s) '2lar_ambr002.5.C8' (nmrStar names),'2lar_ambr002.5.H8' (nmrStar names) not linked" c17535_2lar 1 33 6 33 1 "Not handling restraint 33, item 1, resonance(s) '2lar_ambr002.6.C6' (nmrStar names),'2lar_ambr002.6.H6' (nmrStar names) not linked" c17535_2lar 1 34 6 34 1 "Not handling restraint 34, item 1, resonance(s) '2lar_ambr002.7.C6' (nmrStar names),'2lar_ambr002.7.H6' (nmrStar names) not linked" c17535_2lar 1 35 6 35 1 "Not handling restraint 35, item 1, resonance(s) '2lar_ambr002.8.C8' (nmrStar names),'2lar_ambr002.8.H8' (nmrStar names) not linked" c17535_2lar 1 36 6 36 1 "Not handling restraint 36, item 1, resonance(s) '2lar_ambr002.9.C6' (nmrStar names),'2lar_ambr002.9.H6' (nmrStar names) not linked" c17535_2lar 1 37 6 37 1 "Not handling restraint 37, item 1, resonance(s) '2lar_ambr001.1.H2' (nmrStar names),'2lar_ambr001.1.C2' (nmrStar names) not linked" c17535_2lar 1 38 6 38 1 "Not handling restraint 38, item 1, resonance(s) '2lar_ambr002.2.C2' (nmrStar names),'2lar_ambr002.2.H2' (nmrStar names) not linked" c17535_2lar 1 39 6 39 1 "Not handling restraint 39, item 1, resonance(s) '2lar_ambr002.5.C2' (nmrStar names),'2lar_ambr002.5.H2' (nmrStar names) not linked" c17535_2lar 1 40 6 40 1 "Not handling restraint 40, item 1, resonance(s) '2lar_ambr002.8.C2' (nmrStar names),'2lar_ambr002.8.H2' (nmrStar names) not linked" c17535_2lar 1 41 6 41 1 "Not handling restraint 41, item 1, resonance(s) '2lar_ambr001.7.H5' (nmrStar names),'2lar_ambr001.7.C5' (nmrStar names) not linked" c17535_2lar 1 42 6 42 1 "Not handling restraint 42, item 1, resonance(s) '2lar_ambr001.9.H5' (nmrStar names),'2lar_ambr001.9.C5' (nmrStar names) not linked" c17535_2lar 1 43 6 43 1 "Not handling restraint 43, item 1, resonance(s) '2lar_ambr002.4.C5' (nmrStar names),'2lar_ambr002.4.H5' (nmrStar names) not linked" c17535_2lar 1 44 6 44 1 "Not handling restraint 44, item 1, resonance(s) '2lar_ambr002.6.C5' (nmrStar names),'2lar_ambr002.6.H5' (nmrStar names) not linked" c17535_2lar 1 45 6 45 1 "Not handling restraint 45, item 1, resonance(s) '2lar_ambr002.7.C5' (nmrStar names),'2lar_ambr002.7.H5' (nmrStar names) not linked" c17535_2lar 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c17535_2lar _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment "*HEADER DNA/RNA 18-MAR-11 2LAR *TITLE DNA / RNA HYBRID CONTAINING A CENTRAL STEREO SPECIFIC RP BORANO *TITLE 2 PHOSPHATE LINKAGE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3')_; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: RNA_(5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3')_; *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 SYNTHETIC: YES *KEYWDS NUCLEIC ACID HETERODUPLEX, RNASE H1 ACTIVITY, DNA-RNA COMPLEX *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR C.N.JOHNSON, A.M.SPRING, B.R.SHAW, M.W.GERMANN *REVDAT 1 12-OCT-11 2LAR 0" save_