data_50378 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50378 _Entry.Title ; M2, M2-L1, M2-L3, M2-L1L3 G-quadruplexes + Trisubstituted Naphtalene Diimide NDI-5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-06 _Entry.Accession_date 2020-07-06 _Entry.Last_release_date 2020-07-06 _Entry.Original_release_date 2020-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Chiara Platella . . . . 50378 2 Marko Trajkovski . . . . 50378 3 Filippo Doria . . . . 50378 4 Mauro Freccero . . . . 50378 5 Janez Plavec . . . . 50378 6 Daniela Montesarchio . . . . 50378 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 50378 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 763 50378 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 . . 2021-07-27 . original BMRB . 50378 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50378 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33170272 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; On the interaction of an anticancer trisubstituted naphthalene diimide with G-quadruplexes of different topologies: a structural insight ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 48 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 12380 _Citation.Page_last 12393 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chiara Platella . . . . 50378 1 2 Marko Trajkovski . . . . 50378 1 3 Filippo Doria . . . . 50378 1 4 Mauro Freccero . . . . 50378 1 5 Janez Plavec . . . . 50378 1 6 Daniela Montesarchio . . . . 50378 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50378 _Assembly.ID 1 _Assembly.Name M2+NDI-5 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Trisubstituted naphthalene diimide NDI-5; C28H37N5O6.' _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 M2+NDI-5 1 $entity_1 . . yes native yes no . . . 50378 1 2 M2-L1+NDI-5 2 $entity_2 . . yes native yes no . . . 50378 1 3 M2-L3+NDI-5 3 $entity_3 . . yes native yes no . . . 50378 1 4 M2-L1L3+NDI-5 4 $entity_4 . . yes native yes no . . . 50378 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50378 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAGGGACGGGCGGGCAGGGT ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . DT . 50378 1 2 . DA . 50378 1 3 . DG . 50378 1 4 . DG . 50378 1 5 . DG . 50378 1 6 . DA . 50378 1 7 . DC . 50378 1 8 . DG . 50378 1 9 . DG . 50378 1 10 . DG . 50378 1 11 . DC . 50378 1 12 . DG . 50378 1 13 . DG . 50378 1 14 . DG . 50378 1 15 . DC . 50378 1 16 . DA . 50378 1 17 . DG . 50378 1 18 . DG . 50378 1 19 . DG . 50378 1 20 . DT . 50378 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 . DT 1 1 50378 1 . DA 2 2 50378 1 . DG 3 3 50378 1 . DG 4 4 50378 1 . DG 5 5 50378 1 . DA 6 6 50378 1 . DC 7 7 50378 1 . DG 8 8 50378 1 . DG 9 9 50378 1 . DG 10 10 50378 1 . DC 11 11 50378 1 . DG 12 12 50378 1 . DG 13 13 50378 1 . DG 14 14 50378 1 . DC 15 15 50378 1 . DA 16 16 50378 1 . DG 17 17 50378 1 . DG 18 18 50378 1 . DG 19 19 50378 1 . DT 20 20 50378 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50378 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAGGGXXGGGCGGGCAGGGT ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'abasic sites in the first G-quadruplex loop' _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 . DT . 50378 2 2 . DA . 50378 2 3 . DG . 50378 2 4 . DG . 50378 2 5 . DG . 50378 2 6 . 3DR . 50378 2 7 . 3DR . 50378 2 8 . DG . 50378 2 9 . DG . 50378 2 10 . DG . 50378 2 11 . DC . 50378 2 12 . DG . 50378 2 13 . DG . 50378 2 14 . DG . 50378 2 15 . DC . 50378 2 16 . DA . 50378 2 17 . DG . 50378 2 18 . DG . 50378 2 19 . DG . 50378 2 20 . DT . 50378 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 . DT 1 1 50378 2 . DA 2 2 50378 2 . DG 3 3 50378 2 . DG 4 4 50378 2 . DG 5 5 50378 2 . 3DR 6 6 50378 2 . 3DR 7 7 50378 2 . DG 8 8 50378 2 . DG 9 9 50378 2 . DG 10 10 50378 2 . DC 11 11 50378 2 . DG 12 12 50378 2 . DG 13 13 50378 2 . DG 14 14 50378 2 . DC 15 15 50378 2 . DA 16 16 50378 2 . DG 17 17 50378 2 . DG 18 18 50378 2 . DG 19 19 50378 2 . DT 20 20 50378 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 50378 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAGGGACGGGCGGGXXGGGT ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'abasic sites in the third G-quadruplex loop' _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 . DT . 50378 3 2 . DA . 50378 3 3 . DG . 50378 3 4 . DG . 50378 3 5 . DG . 50378 3 6 . DA . 50378 3 7 . DC . 50378 3 8 . DG . 50378 3 9 . DG . 50378 3 10 . DG . 50378 3 11 . DC . 50378 3 12 . DG . 50378 3 13 . DG . 50378 3 14 . DG . 50378 3 15 . 3DR . 50378 3 16 . 3DR . 50378 3 17 . DG . 50378 3 18 . DG . 50378 3 19 . DG . 50378 3 20 . DT . 50378 3 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 . DT 1 1 50378 3 . DA 2 2 50378 3 . DG 3 3 50378 3 . DG 4 4 50378 3 . DG 5 5 50378 3 . DA 6 6 50378 3 . DC 7 7 50378 3 . DG 8 8 50378 3 . DG 9 9 50378 3 . DG 10 10 50378 3 . DC 11 11 50378 3 . DG 12 12 50378 3 . DG 13 13 50378 3 . DG 14 14 50378 3 . 3DR 15 15 50378 3 . 3DR 16 16 50378 3 . DG 17 17 50378 3 . DG 18 18 50378 3 . DG 19 19 50378 3 . DT 20 20 50378 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 50378 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TAGGGXXGGGCGGGXXGGGT ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'abasic sites in both the first and third G-quadruplex loops' _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 . DT . 50378 4 2 . DA . 50378 4 3 . DG . 50378 4 4 . DG . 50378 4 5 . DG . 50378 4 6 . 3DR . 50378 4 7 . 3DR . 50378 4 8 . DG . 50378 4 9 . DG . 50378 4 10 . DG . 50378 4 11 . DC . 50378 4 12 . DG . 50378 4 13 . DG . 50378 4 14 . DG . 50378 4 15 . 3DR . 50378 4 16 . 3DR . 50378 4 17 . DG . 50378 4 18 . DG . 50378 4 19 . DG . 50378 4 20 . DT . 50378 4 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 . DT 1 1 50378 4 . DA 2 2 50378 4 . DG 3 3 50378 4 . DG 4 4 50378 4 . DG 5 5 50378 4 . 3DR 6 6 50378 4 . 3DR 7 7 50378 4 . DG 8 8 50378 4 . DG 9 9 50378 4 . DG 10 10 50378 4 . DC 11 11 50378 4 . DG 12 12 50378 4 . DG 13 13 50378 4 . DG 14 14 50378 4 . 3DR 15 15 50378 4 . 3DR 16 16 50378 4 . DG 17 17 50378 4 . DG 18 18 50378 4 . DG 19 19 50378 4 . DT 20 20 50378 4 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50378 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50378 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50378 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50378 1 4 4 $entity_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50378 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50378 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 50378 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 50378 1 3 3 $entity_3 . 'chemical synthesis' . . . . . . . . . . . . . . . . 50378 1 4 4 $entity_4 . 'chemical synthesis' . . . . . . . . . . . . . . . . 50378 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_3DR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_3DR _Chem_comp.Entry_ID 50378 _Chem_comp.ID 3DR _Chem_comp.Provenance PDB _Chem_comp.Name 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE _Chem_comp.Type 'DNA LINKING' _Chem_comp.BMRB_code 3DR _Chem_comp.PDB_code 3DR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code N _Chem_comp.Three_letter_code 3DR _Chem_comp.Number_atoms_all 23 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1 _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 'ABASIC DIDEOXYRIBOSE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H11 O6 P' _Chem_comp.Formula_weight 198.111 _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 1QUM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BVOBPNSQIRMLCA-CRCLSJGQSA-N InChIKey InChI 1.03 50378 3DR C1COC(C1O)COP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 50378 3DR C1CO[C@@H]([C@H]1O)COP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50378 3DR InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1 InChI InChI 1.03 50378 3DR O=P(OCC1OCCC1O)(O)O SMILES ACDLabs 10.04 50378 3DR O[C@H]1CCO[C@@H]1CO[P](O)(O)=O SMILES_CANONICAL CACTVS 3.341 50378 3DR O[CH]1CCO[CH]1CO[P](O)(O)=O SMILES CACTVS 3.341 50378 3DR 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 1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol 'SYSTEMATIC NAME' ACDLabs 10.04 50378 3DR '[(2R,3S)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50378 3DR 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 O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 112.167 . 6.416 . 10.589 . -0.442 0.550 -0.918 1 . 50378 3DR P P P P . P . . N 0 . . . 1 no no . . . . 112.629 . 4.952 . 10.119 . -0.015 -0.051 -2.349 2 . 50378 3DR OP1 OP1 OP1 O1P . O . . N 0 . . . 1 no no . . . . 114.115 . 4.865 . 10.298 . -0.290 -1.505 -2.375 3 . 50378 3DR OP2 OP2 OP2 O2P . O . . N 0 . . . 1 no no . . . . 111.840 . 3.992 . 10.990 . -0.861 0.675 -3.510 4 . 50378 3DR OP3 OP3 OP3 O3P . O . . N 0 . . . 1 no yes . . . . 112.197 . 4.879 . 8.655 . 1.556 0.202 -2.590 5 . 50378 3DR C2' C2' C2' C2* . C . . N 0 . . . 1 no no . . . . 111.338 . 8.596 . 14.187 . -0.260 -0.503 3.709 6 . 50378 3DR C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 112.570 . 6.867 . 11.902 . 0.338 -0.131 0.065 7 . 50378 3DR C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 112.284 . 8.336 . 12.033 . -0.020 0.396 1.456 8 . 50378 3DR O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 110.865 . 8.573 . 11.860 . -1.415 0.144 1.745 9 . 50378 3DR C1' C1' C1' C1* . C . . N 0 . . . 1 no no . . . . 110.237 . 8.649 . 13.126 . -1.525 0.209 3.184 10 . 50378 3DR C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 112.551 . 8.990 . 13.382 . 0.751 -0.377 2.548 11 . 50378 3DR O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 112.665 . 10.395 . 13.264 . 1.902 0.360 2.965 12 . 50378 3DR HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 112.113 . 3.125 . 10.711 . -0.575 0.287 -4.349 13 . 50378 3DR HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 112.470 . 4.012 . 8.376 . 1.691 1.159 -2.566 14 . 50378 3DR H2' H2' H2' 1H2* . H . . N 0 . . . 1 no no . . . . 111.151 . 9.211 . 15.097 . -0.471 -1.552 3.918 15 . 50378 3DR H2'' H2'' H2'' 2H2* . H . . N 0 . . . 0 no no . . . . 111.424 . 7.628 . 14.734 . 0.117 -0.004 4.601 16 . 50378 3DR H5' H5' H5' 1H5* . H . . N 0 . . . 1 no no . . . . 112.097 . 6.270 . 12.716 . 1.397 0.042 -0.126 17 . 50378 3DR H5'' H5'' H5'' 2H5* . H . . N 0 . . . 0 no no . . . . 113.635 . 6.622 . 12.124 . 0.130 -1.200 0.017 18 . 50378 3DR H4'1 H4'1 H4'1 1H4* . H . . N 0 . . . 0 no no . . . . 112.973 . 8.768 . 11.270 . 0.194 1.462 1.524 19 . 50378 3DR H1'1 H1'1 H1'1 1H1* . H . . N 0 . . . 0 no no . . . . 109.454 . 7.868 . 13.271 . -2.422 -0.312 3.519 20 . 50378 3DR H1'2 H1'2 H1'2 2H1* . H . . N 0 . . . 0 no no . . . . 109.574 . 9.539 . 13.230 . -1.542 1.246 3.517 21 . 50378 3DR H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 113.511 . 8.666 . 13.847 . 1.041 -1.363 2.185 22 . 50378 3DR HO3' HO3' HO3' HO3* . H . . N 0 . . . 0 no yes . . . . 113.429 . 10.643 . 12.756 . 2.325 -0.154 3.665 23 . 50378 3DR 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 O5' P no N 1 . 50378 3DR 2 . SING O5' C5' no N 2 . 50378 3DR 3 . DOUB P OP1 no N 3 . 50378 3DR 4 . SING P OP2 no N 4 . 50378 3DR 5 . SING P OP3 no N 5 . 50378 3DR 6 . SING OP2 HOP2 no N 6 . 50378 3DR 7 . SING OP3 HOP3 no N 7 . 50378 3DR 8 . SING C2' C1' no N 8 . 50378 3DR 9 . SING C2' C3' no N 9 . 50378 3DR 10 . SING C2' H2' no N 10 . 50378 3DR 11 . SING C2' H2'' no N 11 . 50378 3DR 12 . SING C5' C4' no N 12 . 50378 3DR 13 . SING C5' H5' no N 13 . 50378 3DR 14 . SING C5' H5'' no N 14 . 50378 3DR 15 . SING C4' O4' no N 15 . 50378 3DR 16 . SING C4' C3' no N 16 . 50378 3DR 17 . SING C4' H4'1 no N 17 . 50378 3DR 18 . SING O4' C1' no N 18 . 50378 3DR 19 . SING C1' H1'1 no N 19 . 50378 3DR 20 . SING C1' H1'2 no N 20 . 50378 3DR 21 . SING C3' O3' no N 21 . 50378 3DR 22 . SING C3' H3' no N 22 . 50378 3DR 23 . SING O3' HO3' no N 23 . 50378 3DR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50378 _Sample.ID 1 _Sample.Name M2+NDI-5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'M2 G-quadruplex' 'natural abundance' . . 1 $entity_1 . . 0.2 . . mM . . . . 50378 1 2 'M2-L1 G-quadruplex' 'natural abundance' . . 2 $entity_2 . . 0.2 . . mM . . . . 50378 1 3 'M2-L3 G-quadruplex' 'natural abundance' . . 3 $entity_3 . . 0.2 . . mM . . . . 50378 1 4 'M2-L1L3 G-quadruplex' 'natural abundance' . . 4 $entity_4 . . 0.2 . . mM . . . . 50378 1 5 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 50378 1 6 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 50378 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50378 _Sample_condition_list.ID 1 _Sample_condition_list.Name '100 mM KCl, 20 mM potassium phosphate buffer (pH 7), 90%/10% H2O/D2O, 25 degC' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.120 . M 50378 1 pH 7 . pH 50378 1 pressure 1 . atm 50378 1 temperature 298 . K 50378 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50378 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50378 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50378 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent NMR Systems 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50378 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Agilent NMR Systems 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50378 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker AVANCE NEO 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50378 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50378 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50378 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name M2+NDI5-DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . 50378 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50378 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name M2+NDI-5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 50378 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50378 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DT H1' H 1 5.427 0.004 . 1 . . . . . 1 DT H1' . 50378 1 2 . 1 . 1 1 1 DT H2' H 1 1.836 0.006 . 1 . . . . . 1 DT H2' . 50378 1 3 . 1 . 1 1 1 DT H2'' H 1 1.104 0.005 . 1 . . . . . 1 DT H2'' . 50378 1 4 . 1 . 1 1 1 DT H3' H 1 4.249 0.003 . 4 . . . . . 1 DT H3' . 50378 1 5 . 1 . 1 1 1 DT H4' H 1 4.249 0.003 . 4 . . . . . 1 DT H4' . 50378 1 6 . 1 . 1 1 1 DT H6 H 1 6.521 0.006 . 1 . . . . . 1 DT H6 . 50378 1 7 . 1 . 1 1 1 DT H71 H 1 1.320 0.003 . 2 . . . . . 1 DT H71 . 50378 1 8 . 1 . 1 1 1 DT H72 H 1 1.320 0.003 . 2 . . . . . 1 DT H72 . 50378 1 9 . 1 . 1 1 1 DT H73 H 1 1.320 0.003 . 2 . . . . . 1 DT H73 . 50378 1 10 . 1 . 1 2 2 DA H1' H 1 6.444 0.006 . 1 . . . . . 2 DA H1' . 50378 1 11 . 1 . 1 2 2 DA H2 H 1 8.089 0.002 . 1 . . . . . 2 DA H2 . 50378 1 12 . 1 . 1 2 2 DA H2' H 1 2.802 0.006 . 2 . . . . . 2 DA H2' . 50378 1 13 . 1 . 1 2 2 DA H2'' H 1 2.802 0.006 . 2 . . . . . 2 DA H2'' . 50378 1 14 . 1 . 1 2 2 DA H3' H 1 5.040 0.003 . 1 . . . . . 2 DA H3' . 50378 1 15 . 1 . 1 2 2 DA H4' H 1 4.232 0.005 . 1 . . . . . 2 DA H4' . 50378 1 16 . 1 . 1 2 2 DA H5' H 1 4.085 0.001 . 1 . . . . . 2 DA H5' . 50378 1 17 . 1 . 1 2 2 DA H5'' H 1 3.914 0.005 . 1 . . . . . 2 DA H5'' . 50378 1 18 . 1 . 1 2 2 DA H8 H 1 8.365 0.002 . 1 . . . . . 2 DA H8 . 50378 1 19 . 1 . 1 3 3 DG H1 H 1 11.341 0.003 . 1 . . . . . 3 DG H1 . 50378 1 20 . 1 . 1 3 3 DG H1' H 1 6.086 0.004 . 1 . . . . . 3 DG H1' . 50378 1 21 . 1 . 1 3 3 DG H2' H 1 2.781 0.003 . 1 . . . . . 3 DG H2' . 50378 1 22 . 1 . 1 3 3 DG H2'' H 1 2.974 0.005 . 1 . . . . . 3 DG H2'' . 50378 1 23 . 1 . 1 3 3 DG H3' H 1 5.026 0.003 . 1 . . . . . 3 DG H3' . 50378 1 24 . 1 . 1 3 3 DG H4' H 1 4.519 0.003 . 1 . . . . . 3 DG H4' . 50378 1 25 . 1 . 1 3 3 DG H5' H 1 4.200 0.003 . 1 . . . . . 3 DG H5' . 50378 1 26 . 1 . 1 3 3 DG H5'' H 1 4.060 0.002 . 1 . . . . . 3 DG H5'' . 50378 1 27 . 1 . 1 3 3 DG H8 H 1 8.085 0.002 . 1 . . . . . 3 DG H8 . 50378 1 28 . 1 . 1 3 3 DG H21 H 1 9.378 0.000 . 1 . . . . . 3 DG H21 . 50378 1 29 . 1 . 1 3 3 DG H22 H 1 6.115 0.000 . 1 . . . . . 3 DG H22 . 50378 1 30 . 1 . 1 4 4 DG H1 H 1 11.143 0.003 . 1 . . . . . 4 DG H1 . 50378 1 31 . 1 . 1 4 4 DG H1' H 1 6.022 0.006 . 1 . . . . . 4 DG H1' . 50378 1 32 . 1 . 1 4 4 DG H2' H 1 2.781 0.004 . 1 . . . . . 4 DG H2' . 50378 1 33 . 1 . 1 4 4 DG H2'' H 1 2.628 0.002 . 1 . . . . . 4 DG H2'' . 50378 1 34 . 1 . 1 4 4 DG H3' H 1 4.983 0.004 . 1 . . . . . 4 DG H3' . 50378 1 35 . 1 . 1 4 4 DG H4' H 1 4.425 0.003 . 1 . . . . . 4 DG H4' . 50378 1 36 . 1 . 1 4 4 DG H5' H 1 4.294 0.004 . 1 . . . . . 4 DG H5' . 50378 1 37 . 1 . 1 4 4 DG H5'' H 1 4.292 0.004 . 1 . . . . . 4 DG H5'' . 50378 1 38 . 1 . 1 4 4 DG H8 H 1 7.716 0.005 . 1 . . . . . 4 DG H8 . 50378 1 39 . 1 . 1 4 4 DG H21 H 1 9.140 0.005 . 1 . . . . . 4 DG H21 . 50378 1 40 . 1 . 1 4 4 DG H22 H 1 6.531 0.000 . 1 . . . . . 4 DG H22 . 50378 1 41 . 1 . 1 5 5 DG H1 H 1 10.598 0.005 . 1 . . . . . 5 DG H1 . 50378 1 42 . 1 . 1 5 5 DG H1' H 1 6.238 0.003 . 1 . . . . . 5 DG H1' . 50378 1 43 . 1 . 1 5 5 DG H2' H 1 2.657 0.002 . 1 . . . . . 5 DG H2' . 50378 1 44 . 1 . 1 5 5 DG H2'' H 1 2.611 0.006 . 1 . . . . . 5 DG H2'' . 50378 1 45 . 1 . 1 5 5 DG H3' H 1 5.013 0.004 . 1 . . . . . 5 DG H3' . 50378 1 46 . 1 . 1 5 5 DG H4' H 1 4.253 0.002 . 1 . . . . . 5 DG H4' . 50378 1 47 . 1 . 1 5 5 DG H5' H 1 4.056 0.005 . 1 . . . . . 5 DG H5' . 50378 1 48 . 1 . 1 5 5 DG H5'' H 1 3.730 0.006 . 1 . . . . . 5 DG H5'' . 50378 1 49 . 1 . 1 5 5 DG H8 H 1 7.757 0.003 . 1 . . . . . 5 DG H8 . 50378 1 50 . 1 . 1 6 6 DA H1' H 1 6.495 0.003 . 1 . . . . . 6 DA H1' . 50378 1 51 . 1 . 1 6 6 DA H2 H 1 8.299 0.002 . 1 . . . . . 6 DA H2 . 50378 1 52 . 1 . 1 6 6 DA H2' H 1 2.978 0.003 . 1 . . . . . 6 DA H2' . 50378 1 53 . 1 . 1 6 6 DA H2'' H 1 2.893 0.002 . 1 . . . . . 6 DA H2'' . 50378 1 54 . 1 . 1 6 6 DA H3' H 1 5.025 0.003 . 1 . . . . . 6 DA H3' . 50378 1 55 . 1 . 1 6 6 DA H4' H 1 4.505 0.004 . 1 . . . . . 6 DA H4' . 50378 1 56 . 1 . 1 6 6 DA H5' H 1 4.256 0.001 . 1 . . . . . 6 DA H5' . 50378 1 57 . 1 . 1 6 6 DA H5'' H 1 4.155 0.003 . 1 . . . . . 6 DA H5'' . 50378 1 58 . 1 . 1 6 6 DA H8 H 1 8.521 0.003 . 1 . . . . . 6 DA H8 . 50378 1 59 . 1 . 1 7 7 DC H1' H 1 6.362 0.003 . 1 . . . . . 7 DC H1' . 50378 1 60 . 1 . 1 7 7 DC H2' H 1 2.423 0.004 . 1 . . . . . 7 DC H2' . 50378 1 61 . 1 . 1 7 7 DC H2'' H 1 2.678 0.004 . 1 . . . . . 7 DC H2'' . 50378 1 62 . 1 . 1 7 7 DC H3' H 1 4.952 0.002 . 1 . . . . . 7 DC H3' . 50378 1 63 . 1 . 1 7 7 DC H4' H 1 4.451 0.004 . 1 . . . . . 7 DC H4' . 50378 1 64 . 1 . 1 7 7 DC H5 H 1 6.053 0.003 . 1 . . . . . 7 DC H5 . 50378 1 65 . 1 . 1 7 7 DC H5' H 1 4.262 0.005 . 2 . . . . . 7 DC H5' . 50378 1 66 . 1 . 1 7 7 DC H5'' H 1 4.262 0.005 . 2 . . . . . 7 DC H5'' . 50378 1 67 . 1 . 1 8 8 DG H1 H 1 11.267 0.004 . 1 . . . . . 8 DG H1 . 50378 1 68 . 1 . 1 8 8 DG H1' H 1 6.100 0.003 . 1 . . . . . 8 DG H1' . 50378 1 69 . 1 . 1 8 8 DG H2' H 1 2.438 0.006 . 1 . . . . . 8 DG H2' . 50378 1 70 . 1 . 1 8 8 DG H2'' H 1 2.953 0.006 . 1 . . . . . 8 DG H2'' . 50378 1 71 . 1 . 1 8 8 DG H3' H 1 4.834 0.002 . 1 . . . . . 8 DG H3' . 50378 1 72 . 1 . 1 8 8 DG H4' H 1 4.439 0.005 . 1 . . . . . 8 DG H4' . 50378 1 73 . 1 . 1 8 8 DG H5' H 1 3.776 0.006 . 1 . . . . . 8 DG H5' . 50378 1 74 . 1 . 1 8 8 DG H5'' H 1 4.077 0.002 . 1 . . . . . 8 DG H5'' . 50378 1 75 . 1 . 1 8 8 DG H8 H 1 7.902 0.001 . 1 . . . . . 8 DG H8 . 50378 1 76 . 1 . 1 8 8 DG H21 H 1 9.333 0.000 . 1 . . . . . 8 DG H21 . 50378 1 77 . 1 . 1 9 9 DG H1 H 1 10.993 0.004 . 1 . . . . . 9 DG H1 . 50378 1 78 . 1 . 1 9 9 DG H1' H 1 6.146 0.002 . 1 . . . . . 9 DG H1' . 50378 1 79 . 1 . 1 9 9 DG H2' H 1 2.665 0.003 . 1 . . . . . 9 DG H2' . 50378 1 80 . 1 . 1 9 9 DG H2'' H 1 2.908 0.004 . 1 . . . . . 9 DG H2'' . 50378 1 81 . 1 . 1 9 9 DG H3' H 1 5.039 0.002 . 1 . . . . . 9 DG H3' . 50378 1 82 . 1 . 1 9 9 DG H4' H 1 4.541 0.002 . 1 . . . . . 9 DG H4' . 50378 1 83 . 1 . 1 9 9 DG H5' H 1 4.286 0.000 . 2 . . . . . 9 DG H5' . 50378 1 84 . 1 . 1 9 9 DG H5'' H 1 4.286 0.000 . 2 . . . . . 9 DG H5'' . 50378 1 85 . 1 . 1 9 9 DG H8 H 1 7.788 0.003 . 1 . . . . . 9 DG H8 . 50378 1 86 . 1 . 1 9 9 DG H21 H 1 9.104 0.002 . 1 . . . . . 9 DG H21 . 50378 1 87 . 1 . 1 9 9 DG H22 H 1 6.534 0.001 . 1 . . . . . 9 DG H22 . 50378 1 88 . 1 . 1 10 10 DG H1 H 1 10.613 0.005 . 1 . . . . . 10 DG H1 . 50378 1 89 . 1 . 1 10 10 DG H1' H 1 6.412 0.003 . 1 . . . . . 10 DG H1' . 50378 1 90 . 1 . 1 10 10 DG H2' H 1 2.798 0.002 . 1 . . . . . 10 DG H2' . 50378 1 91 . 1 . 1 10 10 DG H2'' H 1 2.636 0.003 . 1 . . . . . 10 DG H2'' . 50378 1 92 . 1 . 1 10 10 DG H3' H 1 5.149 0.002 . 1 . . . . . 10 DG H3' . 50378 1 93 . 1 . 1 10 10 DG H4' H 1 4.597 0.003 . 1 . . . . . 10 DG H4' . 50378 1 94 . 1 . 1 10 10 DG H5' H 1 4.351 0.003 . 1 . . . . . 10 DG H5' . 50378 1 95 . 1 . 1 10 10 DG H5'' H 1 4.299 0.005 . 1 . . . . . 10 DG H5'' . 50378 1 96 . 1 . 1 10 10 DG H8 H 1 7.807 0.006 . 1 . . . . . 10 DG H8 . 50378 1 97 . 1 . 1 11 11 DC H1' H 1 6.461 0.008 . 1 . . . . . 11 DC H1' . 50378 1 98 . 1 . 1 11 11 DC H2' H 1 2.420 0.004 . 1 . . . . . 11 DC H2' . 50378 1 99 . 1 . 1 11 11 DC H2'' H 1 2.736 0.006 . 1 . . . . . 11 DC H2'' . 50378 1 100 . 1 . 1 11 11 DC H3' H 1 5.058 0.003 . 1 . . . . . 11 DC H3' . 50378 1 101 . 1 . 1 11 11 DC H4' H 1 4.569 0.005 . 1 . . . . . 11 DC H4' . 50378 1 102 . 1 . 1 11 11 DC H5 H 1 6.164 0.006 . 1 . . . . . 11 DC H5 . 50378 1 103 . 1 . 1 11 11 DC H5' H 1 4.367 0.004 . 1 . . . . . 11 DC H5' . 50378 1 104 . 1 . 1 11 11 DC H5'' H 1 4.289 0.002 . 1 . . . . . 11 DC H5'' . 50378 1 105 . 1 . 1 11 11 DC H6 H 1 7.986 0.003 . 1 . . . . . 11 DC H6 . 50378 1 106 . 1 . 1 12 12 DG H1 H 1 11.092 0.003 . 1 . . . . . 12 DG H1 . 50378 1 107 . 1 . 1 12 12 DG H1' H 1 6.152 0.002 . 1 . . . . . 12 DG H1' . 50378 1 108 . 1 . 1 12 12 DG H2' H 1 2.428 0.003 . 1 . . . . . 12 DG H2' . 50378 1 109 . 1 . 1 12 12 DG H2'' H 1 2.897 0.004 . 1 . . . . . 12 DG H2'' . 50378 1 110 . 1 . 1 12 12 DG H3' H 1 5.137 0.003 . 1 . . . . . 12 DG H3' . 50378 1 111 . 1 . 1 12 12 DG H4' H 1 4.509 0.005 . 1 . . . . . 12 DG H4' . 50378 1 112 . 1 . 1 12 12 DG H5' H 1 4.256 0.002 . 1 . . . . . 12 DG H5' . 50378 1 113 . 1 . 1 12 12 DG H5'' H 1 4.358 0.005 . 1 . . . . . 12 DG H5'' . 50378 1 114 . 1 . 1 12 12 DG H8 H 1 7.965 0.004 . 1 . . . . . 12 DG H8 . 50378 1 115 . 1 . 1 12 12 DG H22 H 1 6.011 0.000 . 1 . . . . . 12 DG H22 . 50378 1 116 . 1 . 1 13 13 DG H1 H 1 11.105 0.005 . 1 . . . . . 13 DG H1 . 50378 1 117 . 1 . 1 13 13 DG H1' H 1 6.063 0.001 . 1 . . . . . 13 DG H1' . 50378 1 118 . 1 . 1 13 13 DG H2' H 1 2.619 0.001 . 1 . . . . . 13 DG H2' . 50378 1 119 . 1 . 1 13 13 DG H2'' H 1 2.812 0.002 . 1 . . . . . 13 DG H2'' . 50378 1 120 . 1 . 1 13 13 DG H3' H 1 5.046 0.002 . 1 . . . . . 13 DG H3' . 50378 1 121 . 1 . 1 13 13 DG H4' H 1 4.374 0.002 . 1 . . . . . 13 DG H4' . 50378 1 122 . 1 . 1 13 13 DG H5' H 1 4.254 0.001 . 2 . . . . . 13 DG H5' . 50378 1 123 . 1 . 1 13 13 DG H5'' H 1 4.254 0.001 . 2 . . . . . 13 DG H5'' . 50378 1 124 . 1 . 1 13 13 DG H8 H 1 7.773 0.003 . 1 . . . . . 13 DG H8 . 50378 1 125 . 1 . 1 13 13 DG H21 H 1 9.219 0.000 . 1 . . . . . 13 DG H21 . 50378 1 126 . 1 . 1 13 13 DG H22 H 1 6.227 0.000 . 1 . . . . . 13 DG H22 . 50378 1 127 . 1 . 1 14 14 DG H1 H 1 10.642 0.004 . 1 . . . . . 14 DG H1 . 50378 1 128 . 1 . 1 14 14 DG H1' H 1 6.356 0.002 . 1 . . . . . 14 DG H1' . 50378 1 129 . 1 . 1 14 14 DG H2' H 1 2.744 0.002 . 1 . . . . . 14 DG H2' . 50378 1 130 . 1 . 1 14 14 DG H2'' H 1 2.594 0.003 . 1 . . . . . 14 DG H2'' . 50378 1 131 . 1 . 1 14 14 DG H3' H 1 5.019 0.003 . 1 . . . . . 14 DG H3' . 50378 1 132 . 1 . 1 14 14 DG H4' H 1 4.476 0.002 . 1 . . . . . 14 DG H4' . 50378 1 133 . 1 . 1 14 14 DG H5' H 1 4.254 0.002 . 2 . . . . . 14 DG H5' . 50378 1 134 . 1 . 1 14 14 DG H5'' H 1 4.254 0.002 . 2 . . . . . 14 DG H5'' . 50378 1 135 . 1 . 1 14 14 DG H8 H 1 7.822 0.004 . 1 . . . . . 14 DG H8 . 50378 1 136 . 1 . 1 15 15 DC H1' H 1 6.207 0.003 . 1 . . . . . 15 DC H1' . 50378 1 137 . 1 . 1 15 15 DC H2' H 1 2.140 0.003 . 1 . . . . . 15 DC H2' . 50378 1 138 . 1 . 1 15 15 DC H2'' H 1 2.501 0.003 . 1 . . . . . 15 DC H2'' . 50378 1 139 . 1 . 1 15 15 DC H4' H 1 4.706 0.003 . 1 . . . . . 15 DC H4' . 50378 1 140 . 1 . 1 15 15 DC H5 H 1 6.094 0.002 . 1 . . . . . 15 DC H5 . 50378 1 141 . 1 . 1 15 15 DC H5' H 1 3.755 0.004 . 1 . . . . . 15 DC H5' . 50378 1 142 . 1 . 1 15 15 DC H5'' H 1 3.906 0.004 . 1 . . . . . 15 DC H5'' . 50378 1 143 . 1 . 1 15 15 DC H6 H 1 7.788 0.003 . 1 . . . . . 15 DC H6 . 50378 1 144 . 1 . 1 16 16 DA H1' H 1 6.631 0.004 . 1 . . . . . 16 DA H1' . 50378 1 145 . 1 . 1 16 16 DA H2 H 1 8.333 0.001 . 1 . . . . . 16 DA H2 . 50378 1 146 . 1 . 1 16 16 DA H2' H 1 3.071 0.006 . 1 . . . . . 16 DA H2' . 50378 1 147 . 1 . 1 16 16 DA H2'' H 1 2.943 0.003 . 1 . . . . . 16 DA H2'' . 50378 1 148 . 1 . 1 16 16 DA H3' H 1 5.164 0.004 . 1 . . . . . 16 DA H3' . 50378 1 149 . 1 . 1 16 16 DA H4' H 1 4.582 0.002 . 1 . . . . . 16 DA H4' . 50378 1 150 . 1 . 1 16 16 DA H5' H 1 4.282 0.006 . 1 . . . . . 16 DA H5' . 50378 1 151 . 1 . 1 16 16 DA H5'' H 1 4.188 0.003 . 1 . . . . . 16 DA H5'' . 50378 1 152 . 1 . 1 16 16 DA H8 H 1 8.511 0.003 . 1 . . . . . 16 DA H8 . 50378 1 153 . 1 . 1 17 17 DG H1 H 1 11.167 0.003 . 1 . . . . . 17 DG H1 . 50378 1 154 . 1 . 1 17 17 DG H1' H 1 6.088 0.001 . 1 . . . . . 17 DG H1' . 50378 1 155 . 1 . 1 17 17 DG H2' H 1 2.838 0.006 . 1 . . . . . 17 DG H2' . 50378 1 156 . 1 . 1 17 17 DG H2'' H 1 2.551 0.004 . 1 . . . . . 17 DG H2'' . 50378 1 157 . 1 . 1 17 17 DG H3' H 1 4.963 0.006 . 1 . . . . . 17 DG H3' . 50378 1 158 . 1 . 1 17 17 DG H4' H 1 4.494 0.003 . 1 . . . . . 17 DG H4' . 50378 1 159 . 1 . 1 17 17 DG H5' H 1 4.304 0.004 . 1 . . . . . 17 DG H5' . 50378 1 160 . 1 . 1 17 17 DG H5'' H 1 4.234 0.002 . 1 . . . . . 17 DG H5'' . 50378 1 161 . 1 . 1 17 17 DG H8 H 1 8.035 0.004 . 1 . . . . . 17 DG H8 . 50378 1 162 . 1 . 1 17 17 DG H21 H 1 9.061 0.000 . 1 . . . . . 17 DG H21 . 50378 1 163 . 1 . 1 17 17 DG H22 H 1 6.093 0.000 . 1 . . . . . 17 DG H22 . 50378 1 164 . 1 . 1 18 18 DG H1 H 1 11.074 0.003 . 1 . . . . . 18 DG H1 . 50378 1 165 . 1 . 1 18 18 DG H1' H 1 6.099 0.001 . 1 . . . . . 18 DG H1' . 50378 1 166 . 1 . 1 18 18 DG H2' H 1 2.823 0.006 . 1 . . . . . 18 DG H2' . 50378 1 167 . 1 . 1 18 18 DG H2'' H 1 2.670 0.003 . 1 . . . . . 18 DG H2'' . 50378 1 168 . 1 . 1 18 18 DG H3' H 1 5.031 0.003 . 1 . . . . . 18 DG H3' . 50378 1 169 . 1 . 1 18 18 DG H4' H 1 4.518 0.003 . 1 . . . . . 18 DG H4' . 50378 1 170 . 1 . 1 18 18 DG H5' H 1 4.207 0.001 . 2 . . . . . 18 DG H5' . 50378 1 171 . 1 . 1 18 18 DG H5'' H 1 4.207 0.001 . 2 . . . . . 18 DG H5'' . 50378 1 172 . 1 . 1 18 18 DG H8 H 1 7.768 0.002 . 1 . . . . . 18 DG H8 . 50378 1 173 . 1 . 1 18 18 DG H21 H 1 9.368 0.007 . 1 . . . . . 18 DG H21 . 50378 1 174 . 1 . 1 18 18 DG H22 H 1 5.986 0.005 . 1 . . . . . 18 DG H22 . 50378 1 175 . 1 . 1 19 19 DG H1 H 1 10.623 0.003 . 1 . . . . . 19 DG H1 . 50378 1 176 . 1 . 1 19 19 DG H1' H 1 6.308 0.002 . 1 . . . . . 19 DG H1' . 50378 1 177 . 1 . 1 19 19 DG H2' H 1 2.704 0.005 . 1 . . . . . 19 DG H2' . 50378 1 178 . 1 . 1 19 19 DG H2'' H 1 2.704 0.005 . 1 . . . . . 19 DG H2'' . 50378 1 179 . 1 . 1 19 19 DG H3' H 1 5.062 0.002 . 1 . . . . . 19 DG H3' . 50378 1 180 . 1 . 1 19 19 DG H4' H 1 4.532 0.004 . 1 . . . . . 19 DG H4' . 50378 1 181 . 1 . 1 19 19 DG H5' H 1 4.240 0.002 . 1 . . . . . 19 DG H5' . 50378 1 182 . 1 . 1 19 19 DG H5'' H 1 4.302 0.000 . 1 . . . . . 19 DG H5'' . 50378 1 183 . 1 . 1 19 19 DG H8 H 1 7.786 0.003 . 1 . . . . . 19 DG H8 . 50378 1 184 . 1 . 1 20 20 DT H1' H 1 6.261 0.002 . 1 . . . . . 20 DT H1' . 50378 1 185 . 1 . 1 20 20 DT H2' H 1 2.342 0.003 . 2 . . . . . 20 DT H2' . 50378 1 186 . 1 . 1 20 20 DT H2'' H 1 2.342 0.003 . 2 . . . . . 20 DT H2'' . 50378 1 187 . 1 . 1 20 20 DT H3' H 1 4.599 0.001 . 1 . . . . . 20 DT H3' . 50378 1 188 . 1 . 1 20 20 DT H4' H 1 4.239 0.000 . 1 . . . . . 20 DT H4' . 50378 1 189 . 1 . 1 20 20 DT H5' H 1 4.185 0.001 . 2 . . . . . 20 DT H5' . 50378 1 190 . 1 . 1 20 20 DT H5'' H 1 4.175 0.002 . 2 . . . . . 20 DT H5'' . 50378 1 191 . 1 . 1 20 20 DT H6 H 1 7.657 0.004 . 1 . . . . . 20 DT H6 . 50378 1 192 . 1 . 1 20 20 DT H71 H 1 1.894 0.002 . 2 . . . . . 20 DT H71 . 50378 1 193 . 1 . 1 20 20 DT H72 H 1 1.894 0.002 . 2 . . . . . 20 DT H72 . 50378 1 194 . 1 . 1 20 20 DT H73 H 1 1.894 0.002 . 2 . . . . . 20 DT H73 . 50378 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50378 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name M2-L1+NDI-5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 50378 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50378 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 1 1 DT H1' H 1 5.362 0.003 . 1 . . . . . 1 DT H1' . 50378 2 2 . 2 . 2 1 1 DT H2' H 1 1.773 0.005 . 1 . . . . . 1 DT H2' . 50378 2 3 . 2 . 2 1 1 DT H2'' H 1 0.986 0.005 . 1 . . . . . 1 DT H2'' . 50378 2 4 . 2 . 2 1 1 DT H3' H 1 4.174 0.004 . 4 . . . . . 1 DT H3' . 50378 2 5 . 2 . 2 1 1 DT H4' H 1 4.174 0.004 . 4 . . . . . 1 DT H4' . 50378 2 6 . 2 . 2 1 1 DT H6 H 1 6.392 0.003 . 1 . . . . . 1 DT H6 . 50378 2 7 . 2 . 2 1 1 DT H71 H 1 1.269 0.003 . 3 . . . . . 1 DT H71 . 50378 2 8 . 2 . 2 1 1 DT H72 H 1 1.269 0.003 . 3 . . . . . 1 DT H72 . 50378 2 9 . 2 . 2 1 1 DT H73 H 1 1.269 0.003 . 3 . . . . . 1 DT H73 . 50378 2 10 . 2 . 2 2 2 DA H1' H 1 6.464 0.003 . 1 . . . . . 2 DA H1' . 50378 2 11 . 2 . 2 2 2 DA H2 H 1 8.118 0.002 . 1 . . . . . 2 DA H2 . 50378 2 12 . 2 . 2 2 2 DA H2' H 1 2.790 0.004 . 2 . . . . . 2 DA H2' . 50378 2 13 . 2 . 2 2 2 DA H2'' H 1 2.790 0.004 . 2 . . . . . 2 DA H2'' . 50378 2 14 . 2 . 2 2 2 DA H3' H 1 5.042 0.003 . 1 . . . . . 2 DA H3' . 50378 2 15 . 2 . 2 2 2 DA H4' H 1 4.173 0.000 . 1 . . . . . 2 DA H4' . 50378 2 16 . 2 . 2 2 2 DA H5' H 1 4.081 0.004 . 1 . . . . . 2 DA H5' . 50378 2 17 . 2 . 2 2 2 DA H5'' H 1 3.876 0.003 . 1 . . . . . 2 DA H5'' . 50378 2 18 . 2 . 2 2 2 DA H8 H 1 8.361 0.002 . 1 . . . . . 2 DA H8 . 50378 2 19 . 2 . 2 3 3 DG H1 H 1 11.360 0.002 . 1 . . . . . 3 DG H1 . 50378 2 20 . 2 . 2 3 3 DG H1' H 1 6.053 0.005 . 1 . . . . . 3 DG H1' . 50378 2 21 . 2 . 2 3 3 DG H2' H 1 2.772 0.005 . 1 . . . . . 3 DG H2' . 50378 2 22 . 2 . 2 3 3 DG H2'' H 1 2.967 0.003 . 1 . . . . . 3 DG H2'' . 50378 2 23 . 2 . 2 3 3 DG H3' H 1 5.026 0.007 . 1 . . . . . 3 DG H3' . 50378 2 24 . 2 . 2 3 3 DG H4' H 1 4.484 0.001 . 1 . . . . . 3 DG H4' . 50378 2 25 . 2 . 2 3 3 DG H5' H 1 4.184 0.004 . 1 . . . . . 3 DG H5' . 50378 2 26 . 2 . 2 3 3 DG H5'' H 1 3.981 0.002 . 1 . . . . . 3 DG H5'' . 50378 2 27 . 2 . 2 3 3 DG H8 H 1 8.072 0.004 . 1 . . . . . 3 DG H8 . 50378 2 28 . 2 . 2 3 3 DG H21 H 1 9.645 0.000 . 1 . . . . . 3 DG H21 . 50378 2 29 . 2 . 2 3 3 DG H22 H 1 6.068 0.000 . 1 . . . . . 3 DG H22 . 50378 2 30 . 2 . 2 4 4 DG H1 H 1 11.098 0.003 . 1 . . . . . 4 DG H1 . 50378 2 31 . 2 . 2 4 4 DG H1' H 1 6.081 0.005 . 1 . . . . . 4 DG H1' . 50378 2 32 . 2 . 2 4 4 DG H2' H 1 2.873 0.005 . 1 . . . . . 4 DG H2' . 50378 2 33 . 2 . 2 4 4 DG H2'' H 1 2.686 0.005 . 1 . . . . . 4 DG H2'' . 50378 2 34 . 2 . 2 4 4 DG H3' H 1 5.046 0.002 . 1 . . . . . 4 DG H3' . 50378 2 35 . 2 . 2 4 4 DG H4' H 1 4.540 0.003 . 1 . . . . . 4 DG H4' . 50378 2 36 . 2 . 2 4 4 DG H5' H 1 4.321 0.007 . 1 . . . . . 4 DG H5' . 50378 2 37 . 2 . 2 4 4 DG H5'' H 1 4.281 0.002 . 1 . . . . . 4 DG H5'' . 50378 2 38 . 2 . 2 4 4 DG H8 H 1 7.737 0.002 . 1 . . . . . 4 DG H8 . 50378 2 39 . 2 . 2 4 4 DG H21 H 1 9.121 0.002 . 1 . . . . . 4 DG H21 . 50378 2 40 . 2 . 2 4 4 DG H22 H 1 6.065 0.000 . 1 . . . . . 4 DG H22 . 50378 2 41 . 2 . 2 5 5 DG H1 H 1 10.591 0.005 . 1 . . . . . 5 DG H1 . 50378 2 42 . 2 . 2 5 5 DG H1' H 1 6.314 0.001 . 1 . . . . . 5 DG H1' . 50378 2 43 . 2 . 2 5 5 DG H2' H 1 2.722 0.005 . 2 . . . . . 5 DG H2' . 50378 2 44 . 2 . 2 5 5 DG H2'' H 1 2.722 0.005 . 2 . . . . . 5 DG H2'' . 50378 2 45 . 2 . 2 5 5 DG H3' H 1 5.057 0.003 . 1 . . . . . 5 DG H3' . 50378 2 46 . 2 . 2 5 5 DG H4' H 1 4.571 0.003 . 1 . . . . . 5 DG H4' . 50378 2 47 . 2 . 2 5 5 DG H5' H 1 4.299 0.004 . 1 . . . . . 5 DG H5' . 50378 2 48 . 2 . 2 5 5 DG H5'' H 1 3.647 0.000 . 1 . . . . . 5 DG H5'' . 50378 2 49 . 2 . 2 5 5 DG H8 H 1 7.831 0.003 . 1 . . . . . 5 DG H8 . 50378 2 50 . 2 . 2 6 6 3DR H1'1 H 1 4.152 0.002 . 1 . . . . . 6 3DR H1'1 . 50378 2 51 . 2 . 2 6 6 3DR H1'2 H 1 4.033 0.005 . 1 . . . . . 6 3DR H1'2 . 50378 2 52 . 2 . 2 6 6 3DR H2' H 1 2.266 0.003 . 1 . . . . . 6 3DR H2' . 50378 2 53 . 2 . 2 6 6 3DR H2'' H 1 2.235 0.004 . 1 . . . . . 6 3DR H2'' . 50378 2 54 . 2 . 2 6 6 3DR H3' H 1 4.260 0.001 . 1 . . . . . 6 3DR H3' . 50378 2 55 . 2 . 2 6 6 3DR H4'1 H 1 4.695 0.006 . 1 . . . . . 6 3DR H4'1 . 50378 2 56 . 2 . 2 6 6 3DR H5' H 1 4.004 0.003 . 1 . . . . . 6 3DR H5' . 50378 2 57 . 2 . 2 6 6 3DR H5'' H 1 4.053 0.004 . 1 . . . . . 6 3DR H5'' . 50378 2 58 . 2 . 2 7 7 3DR H1'1 H 1 4.215 0.004 . 1 . . . . . 7 3DR H1'1 . 50378 2 59 . 2 . 2 7 7 3DR H1'2 H 1 4.200 0.002 . 1 . . . . . 7 3DR H1'2 . 50378 2 60 . 2 . 2 7 7 3DR H2' H 1 2.257 0.005 . 1 . . . . . 7 3DR H2' . 50378 2 61 . 2 . 2 7 7 3DR H2'' H 1 2.337 0.002 . 1 . . . . . 7 3DR H2'' . 50378 2 62 . 2 . 2 7 7 3DR H3' H 1 4.796 0.001 . 1 . . . . . 7 3DR H3' . 50378 2 63 . 2 . 2 7 7 3DR H4'1 H 1 4.309 0.005 . 1 . . . . . 7 3DR H4'1 . 50378 2 64 . 2 . 2 7 7 3DR H5' H 1 3.937 0.004 . 1 . . . . . 7 3DR H5' . 50378 2 65 . 2 . 2 7 7 3DR H5'' H 1 4.123 0.001 . 1 . . . . . 7 3DR H5'' . 50378 2 66 . 2 . 2 8 8 DG H1 H 1 11.304 0.002 . 1 . . . . . 8 DG H1 . 50378 2 67 . 2 . 2 8 8 DG H1' H 1 6.146 0.002 . 1 . . . . . 8 DG H1' . 50378 2 68 . 2 . 2 8 8 DG H2' H 1 2.557 0.006 . 1 . . . . . 8 DG H2' . 50378 2 69 . 2 . 2 8 8 DG H2'' H 1 2.958 0.003 . 1 . . . . . 8 DG H2'' . 50378 2 70 . 2 . 2 8 8 DG H3' H 1 4.993 0.004 . 1 . . . . . 8 DG H3' . 50378 2 71 . 2 . 2 8 8 DG H4' H 1 4.485 0.003 . 1 . . . . . 8 DG H4' . 50378 2 72 . 2 . 2 8 8 DG H5' H 1 4.295 0.001 . 1 . . . . . 8 DG H5' . 50378 2 73 . 2 . 2 8 8 DG H5'' H 1 4.162 0.006 . 1 . . . . . 8 DG H5'' . 50378 2 74 . 2 . 2 8 8 DG H8 H 1 8.026 0.004 . 1 . . . . . 8 DG H8 . 50378 2 75 . 2 . 2 9 9 DG H1 H 1 10.999 0.004 . 1 . . . . . 9 DG H1 . 50378 2 76 . 2 . 2 9 9 DG H1' H 1 6.144 0.004 . 1 . . . . . 9 DG H1' . 50378 2 77 . 2 . 2 9 9 DG H2' H 1 2.622 0.003 . 1 . . . . . 9 DG H2' . 50378 2 78 . 2 . 2 9 9 DG H2'' H 1 2.896 0.003 . 1 . . . . . 9 DG H2'' . 50378 2 79 . 2 . 2 9 9 DG H3' H 1 5.035 0.006 . 1 . . . . . 9 DG H3' . 50378 2 80 . 2 . 2 9 9 DG H4' H 1 4.540 0.005 . 1 . . . . . 9 DG H4' . 50378 2 81 . 2 . 2 9 9 DG H5' H 1 4.290 0.003 . 2 . . . . . 9 DG H5' . 50378 2 82 . 2 . 2 9 9 DG H5'' H 1 4.290 0.003 . 2 . . . . . 9 DG H5'' . 50378 2 83 . 2 . 2 9 9 DG H8 H 1 7.731 0.002 . 1 . . . . . 9 DG H8 . 50378 2 84 . 2 . 2 9 9 DG H21 H 1 9.076 0.006 . 1 . . . . . 9 DG H21 . 50378 2 85 . 2 . 2 9 9 DG H22 H 1 6.541 0.004 . 1 . . . . . 9 DG H22 . 50378 2 86 . 2 . 2 10 10 DG H1 H 1 10.608 0.002 . 1 . . . . . 10 DG H1 . 50378 2 87 . 2 . 2 10 10 DG H1' H 1 6.420 0.005 . 1 . . . . . 10 DG H1' . 50378 2 88 . 2 . 2 10 10 DG H2' H 1 2.789 0.004 . 1 . . . . . 10 DG H2' . 50378 2 89 . 2 . 2 10 10 DG H2'' H 1 2.629 0.004 . 1 . . . . . 10 DG H2'' . 50378 2 90 . 2 . 2 10 10 DG H3' H 1 5.138 0.002 . 1 . . . . . 10 DG H3' . 50378 2 91 . 2 . 2 10 10 DG H4' H 1 4.598 0.004 . 1 . . . . . 10 DG H4' . 50378 2 92 . 2 . 2 10 10 DG H5' H 1 4.346 0.005 . 1 . . . . . 10 DG H5' . 50378 2 93 . 2 . 2 10 10 DG H5'' H 1 4.284 0.003 . 1 . . . . . 10 DG H5'' . 50378 2 94 . 2 . 2 10 10 DG H8 H 1 7.804 0.004 . 1 . . . . . 10 DG H8 . 50378 2 95 . 2 . 2 11 11 DC H1' H 1 6.466 0.003 . 1 . . . . . 11 DC H1' . 50378 2 96 . 2 . 2 11 11 DC H2' H 1 2.414 0.001 . 1 . . . . . 11 DC H2' . 50378 2 97 . 2 . 2 11 11 DC H2'' H 1 2.734 0.002 . 1 . . . . . 11 DC H2'' . 50378 2 98 . 2 . 2 11 11 DC H3' H 1 5.058 0.004 . 1 . . . . . 11 DC H3' . 50378 2 99 . 2 . 2 11 11 DC H4' H 1 4.567 0.003 . 1 . . . . . 11 DC H4' . 50378 2 100 . 2 . 2 11 11 DC H5 H 1 6.165 0.003 . 1 . . . . . 11 DC H5 . 50378 2 101 . 2 . 2 11 11 DC H5' H 1 4.366 0.006 . 1 . . . . . 11 DC H5' . 50378 2 102 . 2 . 2 11 11 DC H5'' H 1 4.274 0.002 . 1 . . . . . 11 DC H5'' . 50378 2 103 . 2 . 2 11 11 DC H6 H 1 7.986 0.002 . 1 . . . . . 11 DC H6 . 50378 2 104 . 2 . 2 12 12 DG H1 H 1 11.080 0.001 . 1 . . . . . 12 DG H1 . 50378 2 105 . 2 . 2 12 12 DG H1' H 1 6.167 0.003 . 1 . . . . . 12 DG H1' . 50378 2 106 . 2 . 2 12 12 DG H2' H 1 2.423 0.002 . 1 . . . . . 12 DG H2' . 50378 2 107 . 2 . 2 12 12 DG H2'' H 1 2.899 0.003 . 1 . . . . . 12 DG H2'' . 50378 2 108 . 2 . 2 12 12 DG H3' H 1 5.139 0.002 . 1 . . . . . 12 DG H3' . 50378 2 109 . 2 . 2 12 12 DG H4' H 1 4.503 0.002 . 1 . . . . . 12 DG H4' . 50378 2 110 . 2 . 2 12 12 DG H5' H 1 4.238 0.002 . 1 . . . . . 12 DG H5' . 50378 2 111 . 2 . 2 12 12 DG H5'' H 1 4.359 0.003 . 1 . . . . . 12 DG H5'' . 50378 2 112 . 2 . 2 12 12 DG H8 H 1 7.983 0.002 . 1 . . . . . 12 DG H8 . 50378 2 113 . 2 . 2 13 13 DG H1 H 1 11.091 0.001 . 1 . . . . . 13 DG H1 . 50378 2 114 . 2 . 2 13 13 DG H1' H 1 6.056 0.005 . 1 . . . . . 13 DG H1' . 50378 2 115 . 2 . 2 13 13 DG H2' H 1 2.612 0.003 . 1 . . . . . 13 DG H2' . 50378 2 116 . 2 . 2 13 13 DG H2'' H 1 2.799 0.003 . 1 . . . . . 13 DG H2'' . 50378 2 117 . 2 . 2 13 13 DG H3' H 1 5.044 0.004 . 1 . . . . . 13 DG H3' . 50378 2 118 . 2 . 2 13 13 DG H4' H 1 4.378 0.002 . 1 . . . . . 13 DG H4' . 50378 2 119 . 2 . 2 13 13 DG H5' H 1 4.252 0.002 . 1 . . . . . 13 DG H5' . 50378 2 120 . 2 . 2 13 13 DG H5'' H 1 4.208 0.001 . 1 . . . . . 13 DG H5'' . 50378 2 121 . 2 . 2 13 13 DG H8 H 1 7.768 0.004 . 1 . . . . . 13 DG H8 . 50378 2 122 . 2 . 2 13 13 DG H21 H 1 9.198 0.002 . 1 . . . . . 13 DG H21 . 50378 2 123 . 2 . 2 13 13 DG H22 H 1 6.215 0.000 . 1 . . . . . 13 DG H22 . 50378 2 124 . 2 . 2 14 14 DG H1 H 1 10.636 0.003 . 1 . . . . . 14 DG H1 . 50378 2 125 . 2 . 2 14 14 DG H1' H 1 6.360 0.005 . 1 . . . . . 14 DG H1' . 50378 2 126 . 2 . 2 14 14 DG H2' H 1 2.739 0.003 . 1 . . . . . 14 DG H2' . 50378 2 127 . 2 . 2 14 14 DG H2'' H 1 2.581 0.005 . 1 . . . . . 14 DG H2'' . 50378 2 128 . 2 . 2 14 14 DG H3' H 1 5.004 0.003 . 1 . . . . . 14 DG H3' . 50378 2 129 . 2 . 2 14 14 DG H4' H 1 4.469 0.004 . 1 . . . . . 14 DG H4' . 50378 2 130 . 2 . 2 14 14 DG H5' H 1 4.247 0.002 . 1 . . . . . 14 DG H5' . 50378 2 131 . 2 . 2 14 14 DG H5'' H 1 3.699 0.005 . 1 . . . . . 14 DG H5'' . 50378 2 132 . 2 . 2 14 14 DG H8 H 1 7.827 0.005 . 1 . . . . . 14 DG H8 . 50378 2 133 . 2 . 2 15 15 DC H1' H 1 6.204 0.002 . 1 . . . . . 15 DC H1' . 50378 2 134 . 2 . 2 15 15 DC H2' H 1 2.130 0.003 . 1 . . . . . 15 DC H2' . 50378 2 135 . 2 . 2 15 15 DC H2'' H 1 2.496 0.004 . 1 . . . . . 15 DC H2'' . 50378 2 136 . 2 . 2 15 15 DC H3' H 1 5.046 0.002 . 1 . . . . . 15 DC H3' . 50378 2 137 . 2 . 2 15 15 DC H4' H 1 4.682 0.002 . 1 . . . . . 15 DC H4' . 50378 2 138 . 2 . 2 15 15 DC H5 H 1 6.089 0.001 . 1 . . . . . 15 DC H5 . 50378 2 139 . 2 . 2 15 15 DC H5' H 1 3.711 0.005 . 1 . . . . . 15 DC H5' . 50378 2 140 . 2 . 2 15 15 DC H5'' H 1 3.871 0.003 . 1 . . . . . 15 DC H5'' . 50378 2 141 . 2 . 2 15 15 DC H6 H 1 7.782 0.003 . 1 . . . . . 15 DC H6 . 50378 2 142 . 2 . 2 16 16 DA H1' H 1 6.658 0.004 . 1 . . . . . 16 DA H1' . 50378 2 143 . 2 . 2 16 16 DA H2 H 1 8.358 0.002 . 1 . . . . . 16 DA H2 . 50378 2 144 . 2 . 2 16 16 DA H2' H 1 3.083 0.006 . 1 . . . . . 16 DA H2' . 50378 2 145 . 2 . 2 16 16 DA H2'' H 1 2.943 0.003 . 1 . . . . . 16 DA H2'' . 50378 2 146 . 2 . 2 16 16 DA H3' H 1 5.163 0.006 . 1 . . . . . 16 DA H3' . 50378 2 147 . 2 . 2 16 16 DA H4' H 1 4.576 0.001 . 1 . . . . . 16 DA H4' . 50378 2 148 . 2 . 2 16 16 DA H5' H 1 4.272 0.004 . 1 . . . . . 16 DA H5' . 50378 2 149 . 2 . 2 16 16 DA H5'' H 1 4.181 0.002 . 1 . . . . . 16 DA H5'' . 50378 2 150 . 2 . 2 16 16 DA H8 H 1 8.524 0.003 . 1 . . . . . 16 DA H8 . 50378 2 151 . 2 . 2 17 17 DG H1 H 1 11.104 0.005 . 1 . . . . . 17 DG H1 . 50378 2 152 . 2 . 2 17 17 DG H1' H 1 6.098 0.004 . 1 . . . . . 17 DG H1' . 50378 2 153 . 2 . 2 17 17 DG H2' H 1 2.825 0.002 . 1 . . . . . 17 DG H2' . 50378 2 154 . 2 . 2 17 17 DG H2'' H 1 2.541 0.003 . 1 . . . . . 17 DG H2'' . 50378 2 155 . 2 . 2 17 17 DG H3' H 1 4.951 0.004 . 1 . . . . . 17 DG H3' . 50378 2 156 . 2 . 2 17 17 DG H4' H 1 4.489 0.001 . 1 . . . . . 17 DG H4' . 50378 2 157 . 2 . 2 17 17 DG H5' H 1 4.292 0.003 . 1 . . . . . 17 DG H5' . 50378 2 158 . 2 . 2 17 17 DG H5'' H 1 4.216 0.004 . 1 . . . . . 17 DG H5'' . 50378 2 159 . 2 . 2 17 17 DG H8 H 1 8.028 0.001 . 1 . . . . . 17 DG H8 . 50378 2 160 . 2 . 2 18 18 DG H1 H 1 11.075 0.003 . 1 . . . . . 18 DG H1 . 50378 2 161 . 2 . 2 18 18 DG H1' H 1 6.094 0.004 . 1 . . . . . 18 DG H1' . 50378 2 162 . 2 . 2 18 18 DG H2' H 1 2.662 0.001 . 1 . . . . . 18 DG H2' . 50378 2 163 . 2 . 2 18 18 DG H2'' H 1 2.809 0.003 . 1 . . . . . 18 DG H2'' . 50378 2 164 . 2 . 2 18 18 DG H3' H 1 5.022 0.003 . 1 . . . . . 18 DG H3' . 50378 2 165 . 2 . 2 18 18 DG H4' H 1 4.507 0.005 . 1 . . . . . 18 DG H4' . 50378 2 166 . 2 . 2 18 18 DG H5' H 1 4.212 0.002 . 1 . . . . . 18 DG H5' . 50378 2 167 . 2 . 2 18 18 DG H5'' H 1 4.181 0.001 . 1 . . . . . 18 DG H5'' . 50378 2 168 . 2 . 2 18 18 DG H8 H 1 7.752 0.001 . 1 . . . . . 18 DG H8 . 50378 2 169 . 2 . 2 18 18 DG H21 H 1 9.322 0.005 . 1 . . . . . 18 DG H21 . 50378 2 170 . 2 . 2 18 18 DG H22 H 1 5.928 0.045 . 1 . . . . . 18 DG H22 . 50378 2 171 . 2 . 2 19 19 DG H1 H 1 10.615 0.002 . 1 . . . . . 19 DG H1 . 50378 2 172 . 2 . 2 19 19 DG H1' H 1 6.312 0.002 . 1 . . . . . 19 DG H1' . 50378 2 173 . 2 . 2 19 19 DG H2' H 1 2.705 0.002 . 2 . . . . . 19 DG H2' . 50378 2 174 . 2 . 2 19 19 DG H2'' H 1 2.705 0.002 . 2 . . . . . 19 DG H2'' . 50378 2 175 . 2 . 2 19 19 DG H3' H 1 5.053 0.002 . 1 . . . . . 19 DG H3' . 50378 2 176 . 2 . 2 19 19 DG H4' H 1 4.528 0.005 . 1 . . . . . 19 DG H4' . 50378 2 177 . 2 . 2 19 19 DG H5' H 1 4.294 0.001 . 1 . . . . . 19 DG H5' . 50378 2 178 . 2 . 2 19 19 DG H5'' H 1 4.237 0.003 . 1 . . . . . 19 DG H5'' . 50378 2 179 . 2 . 2 19 19 DG H8 H 1 7.782 0.003 . 1 . . . . . 19 DG H8 . 50378 2 180 . 2 . 2 20 20 DT H1' H 1 6.252 0.002 . 1 . . . . . 20 DT H1' . 50378 2 181 . 2 . 2 20 20 DT H2' H 1 2.327 0.002 . 2 . . . . . 20 DT H2' . 50378 2 182 . 2 . 2 20 20 DT H2'' H 1 2.327 0.002 . 2 . . . . . 20 DT H2'' . 50378 2 183 . 2 . 2 20 20 DT H3' H 1 4.591 0.005 . 1 . . . . . 20 DT H3' . 50378 2 184 . 2 . 2 20 20 DT H4' H 1 4.232 0.004 . 1 . . . . . 20 DT H4' . 50378 2 185 . 2 . 2 20 20 DT H5' H 1 4.176 0.002 . 1 . . . . . 20 DT H5' . 50378 2 186 . 2 . 2 20 20 DT H5'' H 1 4.147 0.003 . 1 . . . . . 20 DT H5'' . 50378 2 187 . 2 . 2 20 20 DT H6 H 1 7.646 0.004 . 1 . . . . . 20 DT H6 . 50378 2 188 . 2 . 2 20 20 DT H71 H 1 1.883 0.002 . 2 . . . . . 20 DT H71 . 50378 2 189 . 2 . 2 20 20 DT H72 H 1 1.883 0.002 . 2 . . . . . 20 DT H72 . 50378 2 190 . 2 . 2 20 20 DT H73 H 1 1.883 0.002 . 2 . . . . . 20 DT H73 . 50378 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 50378 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name M2-L3+NDI-5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 50378 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50378 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 . 3 1 1 DT H1' H 1 5.410 0.003 . 1 . . . . . 1 DT H1' . 50378 3 2 . 3 . 3 1 1 DT H2' H 1 1.822 0.007 . 1 . . . . . 1 DT H2' . 50378 3 3 . 3 . 3 1 1 DT H2'' H 1 1.089 0.003 . 1 . . . . . 1 DT H2'' . 50378 3 4 . 3 . 3 1 1 DT H3' H 1 4.228 0.005 . 4 . . . . . 1 DT H3' . 50378 3 5 . 3 . 3 1 1 DT H4' H 1 4.228 0.005 . 4 . . . . . 1 DT H4' . 50378 3 6 . 3 . 3 1 1 DT H6 H 1 6.494 0.004 . 1 . . . . . 1 DT H6 . 50378 3 7 . 3 . 3 1 1 DT H71 H 1 1.301 0.007 . 2 . . . . . 1 DT H71 . 50378 3 8 . 3 . 3 1 1 DT H72 H 1 1.301 0.007 . 2 . . . . . 1 DT H72 . 50378 3 9 . 3 . 3 1 1 DT H73 H 1 1.301 0.007 . 2 . . . . . 1 DT H73 . 50378 3 10 . 3 . 3 2 2 DA H1' H 1 6.456 0.005 . 1 . . . . . 2 DA H1' . 50378 3 11 . 3 . 3 2 2 DA H2 H 1 8.099 0.001 . 1 . . . . . 2 DA H2 . 50378 3 12 . 3 . 3 2 2 DA H2' H 1 2.791 0.005 . 2 . . . . . 2 DA H2' . 50378 3 13 . 3 . 3 2 2 DA H2'' H 1 2.791 0.005 . 2 . . . . . 2 DA H2'' . 50378 3 14 . 3 . 3 2 2 DA H3' H 1 5.040 0.002 . 1 . . . . . 2 DA H3' . 50378 3 15 . 3 . 3 2 2 DA H4' H 1 4.213 0.010 . 1 . . . . . 2 DA H4' . 50378 3 16 . 3 . 3 2 2 DA H5' H 1 4.078 0.013 . 1 . . . . . 2 DA H5' . 50378 3 17 . 3 . 3 2 2 DA H5'' H 1 3.908 0.003 . 1 . . . . . 2 DA H5'' . 50378 3 18 . 3 . 3 2 2 DA H8 H 1 8.368 0.002 . 1 . . . . . 2 DA H8 . 50378 3 19 . 3 . 3 3 3 DG H1 H 1 11.352 0.002 . 1 . . . . . 3 DG H1 . 50378 3 20 . 3 . 3 3 3 DG H1' H 1 6.088 0.003 . 1 . . . . . 3 DG H1' . 50378 3 21 . 3 . 3 3 3 DG H2' H 1 2.787 0.004 . 1 . . . . . 3 DG H2' . 50378 3 22 . 3 . 3 3 3 DG H2'' H 1 2.980 0.005 . 1 . . . . . 3 DG H2'' . 50378 3 23 . 3 . 3 3 3 DG H3' H 1 5.029 0.002 . 1 . . . . . 3 DG H3' . 50378 3 24 . 3 . 3 3 3 DG H4' H 1 4.523 0.002 . 1 . . . . . 3 DG H4' . 50378 3 25 . 3 . 3 3 3 DG H5' H 1 4.202 0.003 . 1 . . . . . 3 DG H5' . 50378 3 26 . 3 . 3 3 3 DG H5'' H 1 4.040 0.004 . 1 . . . . . 3 DG H5'' . 50378 3 27 . 3 . 3 3 3 DG H8 H 1 8.091 0.003 . 1 . . . . . 3 DG H8 . 50378 3 28 . 3 . 3 3 3 DG H21 H 1 9.550 0.012 . 1 . . . . . 3 DG H21 . 50378 3 29 . 3 . 3 4 4 DG H1 H 1 11.150 0.003 . 1 . . . . . 4 DG H1 . 50378 3 30 . 3 . 3 4 4 DG H1' H 1 6.026 0.003 . 1 . . . . . 4 DG H1' . 50378 3 31 . 3 . 3 4 4 DG H2' H 1 2.633 0.002 . 1 . . . . . 4 DG H2' . 50378 3 32 . 3 . 3 4 4 DG H2'' H 1 2.781 0.004 . 1 . . . . . 4 DG H2'' . 50378 3 33 . 3 . 3 4 4 DG H3' H 1 4.986 0.005 . 1 . . . . . 4 DG H3' . 50378 3 34 . 3 . 3 4 4 DG H4' H 1 4.432 0.003 . 1 . . . . . 4 DG H4' . 50378 3 35 . 3 . 3 4 4 DG H5' H 1 4.296 0.004 . 1 . . . . . 4 DG H5' . 50378 3 36 . 3 . 3 4 4 DG H5'' H 1 4.210 0.000 . 1 . . . . . 4 DG H5'' . 50378 3 37 . 3 . 3 4 4 DG H8 H 1 7.713 0.003 . 1 . . . . . 4 DG H8 . 50378 3 38 . 3 . 3 4 4 DG H21 H 1 9.146 0.003 . 1 . . . . . 4 DG H21 . 50378 3 39 . 3 . 3 4 4 DG H22 H 1 6.532 0.004 . 1 . . . . . 4 DG H22 . 50378 3 40 . 3 . 3 5 5 DG H1 H 1 10.635 0.002 . 1 . . . . . 5 DG H1 . 50378 3 41 . 3 . 3 5 5 DG H1' H 1 6.255 0.001 . 1 . . . . . 5 DG H1' . 50378 3 42 . 3 . 3 5 5 DG H2' H 1 2.655 0.006 . 1 . . . . . 5 DG H2' . 50378 3 43 . 3 . 3 5 5 DG H2'' H 1 2.611 0.005 . 1 . . . . . 5 DG H2'' . 50378 3 44 . 3 . 3 5 5 DG H3' H 1 5.015 0.002 . 1 . . . . . 5 DG H3' . 50378 3 45 . 3 . 3 5 5 DG H4' H 1 4.251 0.002 . 1 . . . . . 5 DG H4' . 50378 3 46 . 3 . 3 5 5 DG H5' H 1 4.051 0.004 . 1 . . . . . 5 DG H5' . 50378 3 47 . 3 . 3 5 5 DG H5'' H 1 3.717 0.004 . 1 . . . . . 5 DG H5'' . 50378 3 48 . 3 . 3 5 5 DG H8 H 1 7.762 0.003 . 1 . . . . . 5 DG H8 . 50378 3 49 . 3 . 3 6 6 DA H1' H 1 6.519 0.003 . 1 . . . . . 6 DA H1' . 50378 3 50 . 3 . 3 6 6 DA H2 H 1 8.326 0.001 . 1 . . . . . 6 DA H2 . 50378 3 51 . 3 . 3 6 6 DA H2' H 1 2.996 0.003 . 1 . . . . . 6 DA H2' . 50378 3 52 . 3 . 3 6 6 DA H2'' H 1 2.899 0.005 . 1 . . . . . 6 DA H2'' . 50378 3 53 . 3 . 3 6 6 DA H3' H 1 5.032 0.003 . 1 . . . . . 6 DA H3' . 50378 3 54 . 3 . 3 6 6 DA H4' H 1 4.509 0.003 . 1 . . . . . 6 DA H4' . 50378 3 55 . 3 . 3 6 6 DA H5' H 1 4.253 0.005 . 1 . . . . . 6 DA H5' . 50378 3 56 . 3 . 3 6 6 DA H5'' H 1 4.163 0.005 . 1 . . . . . 6 DA H5'' . 50378 3 57 . 3 . 3 6 6 DA H8 H 1 8.539 0.002 . 1 . . . . . 6 DA H8 . 50378 3 58 . 3 . 3 7 7 DC H1' H 1 6.372 0.003 . 1 . . . . . 7 DC H1' . 50378 3 59 . 3 . 3 7 7 DC H2' H 1 2.424 0.001 . 1 . . . . . 7 DC H2' . 50378 3 60 . 3 . 3 7 7 DC H2'' H 1 2.683 0.002 . 1 . . . . . 7 DC H2'' . 50378 3 61 . 3 . 3 7 7 DC H3' H 1 4.955 0.002 . 1 . . . . . 7 DC H3' . 50378 3 62 . 3 . 3 7 7 DC H4' H 1 4.460 0.003 . 1 . . . . . 7 DC H4' . 50378 3 63 . 3 . 3 7 7 DC H5 H 1 6.066 0.002 . 1 . . . . . 7 DC H5 . 50378 3 64 . 3 . 3 7 7 DC H5' H 1 4.274 0.004 . 1 . . . . . 7 DC H5' . 50378 3 65 . 3 . 3 7 7 DC H5'' H 1 4.300 0.001 . 1 . . . . . 7 DC H5'' . 50378 3 66 . 3 . 3 7 7 DC H6 H 1 7.921 0.002 . 1 . . . . . 7 DC H6 . 50378 3 67 . 3 . 3 8 8 DG H1 H 1 11.272 0.000 . 1 . . . . . 8 DG H1 . 50378 3 68 . 3 . 3 8 8 DG H1' H 1 6.114 0.002 . 1 . . . . . 8 DG H1' . 50378 3 69 . 3 . 3 8 8 DG H2' H 1 2.448 0.003 . 1 . . . . . 8 DG H2' . 50378 3 70 . 3 . 3 8 8 DG H2'' H 1 2.959 0.005 . 1 . . . . . 8 DG H2'' . 50378 3 71 . 3 . 3 8 8 DG H3' H 1 4.837 0.003 . 1 . . . . . 8 DG H3' . 50378 3 72 . 3 . 3 8 8 DG H4' H 1 4.440 0.002 . 1 . . . . . 8 DG H4' . 50378 3 73 . 3 . 3 8 8 DG H5' H 1 3.775 0.002 . 1 . . . . . 8 DG H5' . 50378 3 74 . 3 . 3 8 8 DG H5'' H 1 4.075 0.002 . 1 . . . . . 8 DG H5'' . 50378 3 75 . 3 . 3 8 8 DG H8 H 1 7.907 0.005 . 1 . . . . . 8 DG H8 . 50378 3 76 . 3 . 3 8 8 DG H21 H 1 9.379 0.000 . 1 . . . . . 8 DG H21 . 50378 3 77 . 3 . 3 9 9 DG H1 H 1 10.999 0.003 . 1 . . . . . 9 DG H1 . 50378 3 78 . 3 . 3 9 9 DG H1' H 1 6.158 0.004 . 1 . . . . . 9 DG H1' . 50378 3 79 . 3 . 3 9 9 DG H2' H 1 2.677 0.003 . 1 . . . . . 9 DG H2' . 50378 3 80 . 3 . 3 9 9 DG H2'' H 1 2.913 0.003 . 1 . . . . . 9 DG H2'' . 50378 3 81 . 3 . 3 9 9 DG H3' H 1 5.049 0.003 . 1 . . . . . 9 DG H3' . 50378 3 82 . 3 . 3 9 9 DG H4' H 1 4.550 0.003 . 1 . . . . . 9 DG H4' . 50378 3 83 . 3 . 3 9 9 DG H5' H 1 4.287 0.004 . 2 . . . . . 9 DG H5' . 50378 3 84 . 3 . 3 9 9 DG H5'' H 1 4.287 0.004 . 2 . . . . . 9 DG H5'' . 50378 3 85 . 3 . 3 9 9 DG H8 H 1 7.803 0.003 . 1 . . . . . 9 DG H8 . 50378 3 86 . 3 . 3 9 9 DG H21 H 1 9.120 0.005 . 1 . . . . . 9 DG H21 . 50378 3 87 . 3 . 3 9 9 DG H22 H 1 6.536 0.002 . 1 . . . . . 9 DG H22 . 50378 3 88 . 3 . 3 10 10 DG H1 H 1 10.614 0.002 . 1 . . . . . 10 DG H1 . 50378 3 89 . 3 . 3 10 10 DG H1' H 1 6.428 0.005 . 1 . . . . . 10 DG H1' . 50378 3 90 . 3 . 3 10 10 DG H2' H 1 2.803 0.001 . 1 . . . . . 10 DG H2' . 50378 3 91 . 3 . 3 10 10 DG H2'' H 1 2.645 0.003 . 1 . . . . . 10 DG H2'' . 50378 3 92 . 3 . 3 10 10 DG H3' H 1 5.152 0.002 . 1 . . . . . 10 DG H3' . 50378 3 93 . 3 . 3 10 10 DG H4' H 1 4.609 0.005 . 1 . . . . . 10 DG H4' . 50378 3 94 . 3 . 3 10 10 DG H5' H 1 4.318 0.005 . 1 . . . . . 10 DG H5' . 50378 3 95 . 3 . 3 10 10 DG H5'' H 1 4.362 0.005 . 1 . . . . . 10 DG H5'' . 50378 3 96 . 3 . 3 10 10 DG H8 H 1 7.818 0.005 . 1 . . . . . 10 DG H8 . 50378 3 97 . 3 . 3 11 11 DC H1' H 1 6.476 0.004 . 1 . . . . . 11 DC H1' . 50378 3 98 . 3 . 3 11 11 DC H2' H 1 2.427 0.002 . 1 . . . . . 11 DC H2' . 50378 3 99 . 3 . 3 11 11 DC H2'' H 1 2.748 0.003 . 1 . . . . . 11 DC H2'' . 50378 3 100 . 3 . 3 11 11 DC H3' H 1 5.069 0.003 . 1 . . . . . 11 DC H3' . 50378 3 101 . 3 . 3 11 11 DC H4' H 1 4.580 0.004 . 1 . . . . . 11 DC H4' . 50378 3 102 . 3 . 3 11 11 DC H5 H 1 6.177 0.003 . 1 . . . . . 11 DC H5 . 50378 3 103 . 3 . 3 11 11 DC H5' H 1 4.379 0.003 . 1 . . . . . 11 DC H5' . 50378 3 104 . 3 . 3 11 11 DC H5'' H 1 4.297 0.005 . 1 . . . . . 11 DC H5'' . 50378 3 105 . 3 . 3 11 11 DC H6 H 1 8.000 0.002 . 1 . . . . . 11 DC H6 . 50378 3 106 . 3 . 3 12 12 DG H1 H 1 11.089 0.002 . 1 . . . . . 12 DG H1 . 50378 3 107 . 3 . 3 12 12 DG H1' H 1 6.170 0.004 . 1 . . . . . 12 DG H1' . 50378 3 108 . 3 . 3 12 12 DG H2' H 1 2.434 0.002 . 1 . . . . . 12 DG H2' . 50378 3 109 . 3 . 3 12 12 DG H2'' H 1 2.906 0.005 . 1 . . . . . 12 DG H2'' . 50378 3 110 . 3 . 3 12 12 DG H3' H 1 5.149 0.002 . 1 . . . . . 12 DG H3' . 50378 3 111 . 3 . 3 12 12 DG H4' H 1 4.513 0.006 . 1 . . . . . 12 DG H4' . 50378 3 112 . 3 . 3 12 12 DG H5' H 1 4.259 0.004 . 1 . . . . . 12 DG H5' . 50378 3 113 . 3 . 3 12 12 DG H5'' H 1 4.361 0.005 . 1 . . . . . 12 DG H5'' . 50378 3 114 . 3 . 3 12 12 DG H8 H 1 7.981 0.005 . 1 . . . . . 12 DG H8 . 50378 3 115 . 3 . 3 12 12 DG H21 H 1 9.113 0.000 . 1 . . . . . 12 DG H21 . 50378 3 116 . 3 . 3 13 13 DG H1 H 1 11.065 0.001 . 1 . . . . . 13 DG H1 . 50378 3 117 . 3 . 3 13 13 DG H1' H 1 6.070 0.004 . 1 . . . . . 13 DG H1' . 50378 3 118 . 3 . 3 13 13 DG H2' H 1 2.663 0.003 . 1 . . . . . 13 DG H2' . 50378 3 119 . 3 . 3 13 13 DG H2'' H 1 2.847 0.005 . 1 . . . . . 13 DG H2'' . 50378 3 120 . 3 . 3 13 13 DG H3' H 1 5.092 0.004 . 1 . . . . . 13 DG H3' . 50378 3 121 . 3 . 3 13 13 DG H4' H 1 4.543 0.004 . 1 . . . . . 13 DG H4' . 50378 3 122 . 3 . 3 13 13 DG H5' H 1 4.320 0.004 . 1 . . . . . 13 DG H5' . 50378 3 123 . 3 . 3 13 13 DG H5'' H 1 4.254 0.005 . 1 . . . . . 13 DG H5'' . 50378 3 124 . 3 . 3 13 13 DG H8 H 1 7.805 0.005 . 1 . . . . . 13 DG H8 . 50378 3 125 . 3 . 3 13 13 DG H21 H 1 9.143 0.000 . 1 . . . . . 13 DG H21 . 50378 3 126 . 3 . 3 13 13 DG H22 H 1 6.058 0.000 . 1 . . . . . 13 DG H22 . 50378 3 127 . 3 . 3 14 14 DG H1 H 1 10.593 0.003 . 1 . . . . . 14 DG H1 . 50378 3 128 . 3 . 3 14 14 DG H1' H 1 6.351 0.004 . 1 . . . . . 14 DG H1' . 50378 3 129 . 3 . 3 14 14 DG H2' H 1 2.729 0.005 . 1 . . . . . 14 DG H2' . 50378 3 130 . 3 . 3 14 14 DG H2'' H 1 2.640 0.003 . 1 . . . . . 14 DG H2'' . 50378 3 131 . 3 . 3 14 14 DG H3' H 1 5.070 0.003 . 1 . . . . . 14 DG H3' . 50378 3 132 . 3 . 3 14 14 DG H4' H 1 4.579 0.003 . 1 . . . . . 14 DG H4' . 50378 3 133 . 3 . 3 14 14 DG H5' H 1 4.299 0.003 . 2 . . . . . 14 DG H5' . 50378 3 134 . 3 . 3 14 14 DG H5'' H 1 4.299 0.003 . 2 . . . . . 14 DG H5'' . 50378 3 135 . 3 . 3 14 14 DG H8 H 1 7.830 0.003 . 1 . . . . . 14 DG H8 . 50378 3 136 . 3 . 3 15 15 3DR H1'1 H 1 4.161 0.004 . 1 . . . . . 15 3DR H1'1 . 50378 3 137 . 3 . 3 15 15 3DR H1'2 H 1 4.046 0.002 . 1 . . . . . 15 3DR H1'2 . 50378 3 138 . 3 . 3 15 15 3DR H2' H 1 2.279 0.005 . 1 . . . . . 15 3DR H2' . 50378 3 139 . 3 . 3 15 15 3DR H2'' H 1 2.238 0.002 . 1 . . . . . 15 3DR H2'' . 50378 3 140 . 3 . 3 15 15 3DR H3' H 1 4.270 0.002 . 1 . . . . . 15 3DR H3' . 50378 3 141 . 3 . 3 15 15 3DR H4'1 H 1 4.708 0.001 . 1 . . . . . 15 3DR H4'1 . 50378 3 142 . 3 . 3 15 15 3DR H5' H 1 4.007 0.004 . 1 . . . . . 15 3DR H5' . 50378 3 143 . 3 . 3 15 15 3DR H5'' H 1 4.059 0.005 . 1 . . . . . 15 3DR H5'' . 50378 3 144 . 3 . 3 16 16 3DR H1'1 H 1 4.218 0.000 . 1 . . . . . 16 3DR H1'1 . 50378 3 145 . 3 . 3 16 16 3DR H1'2 H 1 4.183 0.003 . 1 . . . . . 16 3DR H1'2 . 50378 3 146 . 3 . 3 16 16 3DR H2' H 1 2.354 0.003 . 1 . . . . . 16 3DR H2' . 50378 3 147 . 3 . 3 16 16 3DR H2'' H 1 2.275 0.003 . 1 . . . . . 16 3DR H2'' . 50378 3 148 . 3 . 3 16 16 3DR H3' H 1 4.807 0.001 . 1 . . . . . 16 3DR H3' . 50378 3 149 . 3 . 3 16 16 3DR H4'1 H 1 4.040 0.000 . 1 . . . . . 16 3DR H4'1 . 50378 3 150 . 3 . 3 16 16 3DR H5' H 1 3.941 0.003 . 1 . . . . . 16 3DR H5' . 50378 3 151 . 3 . 3 16 16 3DR H5'' H 1 4.120 0.000 . 1 . . . . . 16 3DR H5'' . 50378 3 152 . 3 . 3 17 17 DG H1 H 1 11.170 0.004 . 1 . . . . . 17 DG H1 . 50378 3 153 . 3 . 3 17 17 DG H1' H 1 6.094 0.002 . 1 . . . . . 17 DG H1' . 50378 3 154 . 3 . 3 17 17 DG H2' H 1 2.556 0.002 . 1 . . . . . 17 DG H2' . 50378 3 155 . 3 . 3 17 17 DG H2'' H 1 2.871 0.005 . 1 . . . . . 17 DG H2'' . 50378 3 156 . 3 . 3 17 17 DG H3' H 1 4.970 0.003 . 1 . . . . . 17 DG H3' . 50378 3 157 . 3 . 3 17 17 DG H4' H 1 4.494 0.002 . 1 . . . . . 17 DG H4' . 50378 3 158 . 3 . 3 17 17 DG H5' H 1 4.233 0.006 . 2 . . . . . 17 DG H5' . 50378 3 159 . 3 . 3 17 17 DG H5'' H 1 4.233 0.006 . 2 . . . . . 17 DG H5'' . 50378 3 160 . 3 . 3 17 17 DG H8 H 1 7.997 0.002 . 1 . . . . . 17 DG H8 . 50378 3 161 . 3 . 3 17 17 DG H21 H 1 9.271 0.000 . 1 . . . . . 17 DG H21 . 50378 3 162 . 3 . 3 17 17 DG H22 H 1 6.086 0.000 . 1 . . . . . 17 DG H22 . 50378 3 163 . 3 . 3 18 18 DG H1 H 1 11.076 0.001 . 1 . . . . . 18 DG H1 . 50378 3 164 . 3 . 3 18 18 DG H1' H 1 6.103 0.004 . 1 . . . . . 18 DG H1' . 50378 3 165 . 3 . 3 18 18 DG H2' H 1 2.701 0.001 . 1 . . . . . 18 DG H2' . 50378 3 166 . 3 . 3 18 18 DG H2'' H 1 2.825 0.005 . 1 . . . . . 18 DG H2'' . 50378 3 167 . 3 . 3 18 18 DG H3' H 1 5.074 0.003 . 1 . . . . . 18 DG H3' . 50378 3 168 . 3 . 3 18 18 DG H4' H 1 4.536 0.003 . 1 . . . . . 18 DG H4' . 50378 3 169 . 3 . 3 18 18 DG H5' H 1 4.241 0.005 . 2 . . . . . 18 DG H5' . 50378 3 170 . 3 . 3 18 18 DG H5'' H 1 4.241 0.005 . 2 . . . . . 18 DG H5'' . 50378 3 171 . 3 . 3 18 18 DG H8 H 1 7.796 0.004 . 1 . . . . . 18 DG H8 . 50378 3 172 . 3 . 3 18 18 DG H21 H 1 9.364 0.003 . 1 . . . . . 18 DG H21 . 50378 3 173 . 3 . 3 18 18 DG H22 H 1 5.962 0.009 . 1 . . . . . 18 DG H22 . 50378 3 174 . 3 . 3 19 19 DG H1 H 1 10.626 0.005 . 1 . . . . . 19 DG H1 . 50378 3 175 . 3 . 3 19 19 DG H1' H 1 6.318 0.002 . 1 . . . . . 19 DG H1' . 50378 3 176 . 3 . 3 19 19 DG H2' H 1 2.712 0.003 . 2 . . . . . 19 DG H2' . 50378 3 177 . 3 . 3 19 19 DG H2'' H 1 2.712 0.003 . 2 . . . . . 19 DG H2'' . 50378 3 178 . 3 . 3 19 19 DG H3' H 1 5.066 0.002 . 1 . . . . . 19 DG H3' . 50378 3 179 . 3 . 3 19 19 DG H4' H 1 4.539 0.002 . 1 . . . . . 19 DG H4' . 50378 3 180 . 3 . 3 19 19 DG H5' H 1 4.250 0.002 . 1 . . . . . 19 DG H5' . 50378 3 181 . 3 . 3 19 19 DG H5'' H 1 4.306 0.004 . 1 . . . . . 19 DG H5'' . 50378 3 182 . 3 . 3 19 19 DG H8 H 1 7.777 0.004 . 1 . . . . . 19 DG H8 . 50378 3 183 . 3 . 3 20 20 DT H1' H 1 6.263 0.002 . 1 . . . . . 20 DT H1' . 50378 3 184 . 3 . 3 20 20 DT H2' H 1 2.345 0.003 . 2 . . . . . 20 DT H2' . 50378 3 185 . 3 . 3 20 20 DT H2'' H 1 2.345 0.003 . 2 . . . . . 20 DT H2'' . 50378 3 186 . 3 . 3 20 20 DT H3' H 1 4.598 0.002 . 1 . . . . . 20 DT H3' . 50378 3 187 . 3 . 3 20 20 DT H4' H 1 4.246 0.003 . 1 . . . . . 20 DT H4' . 50378 3 188 . 3 . 3 20 20 DT H5' H 1 4.187 0.001 . 1 . . . . . 20 DT H5' . 50378 3 189 . 3 . 3 20 20 DT H5'' H 1 4.154 0.000 . 1 . . . . . 20 DT H5'' . 50378 3 190 . 3 . 3 20 20 DT H6 H 1 7.664 0.002 . 1 . . . . . 20 DT H6 . 50378 3 191 . 3 . 3 20 20 DT H71 H 1 1.897 0.002 . 2 . . . . . 20 DT H71 . 50378 3 192 . 3 . 3 20 20 DT H72 H 1 1.897 0.002 . 2 . . . . . 20 DT H72 . 50378 3 193 . 3 . 3 20 20 DT H73 H 1 1.897 0.002 . 2 . . . . . 20 DT H73 . 50378 3 stop_ save_ save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 50378 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name M2-L1L3+NDI-5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 50378 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50378 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 4 . 4 1 1 DT H1' H 1 5.437 0.002 . 1 . . . . . 1 DT H1' . 50378 4 2 . 4 . 4 1 1 DT H2' H 1 1.833 0.002 . 1 . . . . . 1 DT H2' . 50378 4 3 . 4 . 4 1 1 DT H2'' H 1 1.077 0.006 . 1 . . . . . 1 DT H2'' . 50378 4 4 . 4 . 4 1 1 DT H3' H 1 4.229 0.002 . 4 . . . . . 1 DT H3' . 50378 4 5 . 4 . 4 1 1 DT H4' H 1 4.229 0.002 . 4 . . . . . 1 DT H4' . 50378 4 6 . 4 . 4 1 1 DT H6 H 1 6.501 0.004 . 1 . . . . . 1 DT H6 . 50378 4 7 . 4 . 4 1 1 DT H71 H 1 1.326 0.002 . 2 . . . . . 1 DT H71 . 50378 4 8 . 4 . 4 1 1 DT H72 H 1 1.326 0.002 . 2 . . . . . 1 DT H72 . 50378 4 9 . 4 . 4 1 1 DT H73 H 1 1.326 0.002 . 2 . . . . . 1 DT H73 . 50378 4 10 . 4 . 4 2 2 DA H1' H 1 6.456 0.005 . 1 . . . . . 2 DA H1' . 50378 4 11 . 4 . 4 2 2 DA H2 H 1 8.104 0.001 . 1 . . . . . 2 DA H2 . 50378 4 12 . 4 . 4 2 2 DA H2' H 1 2.827 0.002 . 2 . . . . . 2 DA H2' . 50378 4 13 . 4 . 4 2 2 DA H2'' H 1 2.827 0.002 . 2 . . . . . 2 DA H2'' . 50378 4 14 . 4 . 4 2 2 DA H3' H 1 5.063 0.002 . 1 . . . . . 2 DA H3' . 50378 4 15 . 4 . 4 2 2 DA H4' H 1 4.205 0.008 . 1 . . . . . 2 DA H4' . 50378 4 16 . 4 . 4 2 2 DA H5' H 1 4.084 0.008 . 1 . . . . . 2 DA H5' . 50378 4 17 . 4 . 4 2 2 DA H5'' H 1 3.923 0.004 . 1 . . . . . 2 DA H5'' . 50378 4 18 . 4 . 4 2 2 DA H8 H 1 8.360 0.001 . 1 . . . . . 2 DA H8 . 50378 4 19 . 4 . 4 3 3 DG H1 H 1 11.326 0.001 . 1 . . . . . 3 DG H1 . 50378 4 20 . 4 . 4 3 3 DG H1' H 1 6.070 0.002 . 1 . . . . . 3 DG H1' . 50378 4 21 . 4 . 4 3 3 DG H2' H 1 2.770 0.005 . 1 . . . . . 3 DG H2' . 50378 4 22 . 4 . 4 3 3 DG H2'' H 1 2.977 0.004 . 1 . . . . . 3 DG H2'' . 50378 4 23 . 4 . 4 3 3 DG H3' H 1 5.029 0.004 . 1 . . . . . 3 DG H3' . 50378 4 24 . 4 . 4 3 3 DG H4' H 1 4.501 0.004 . 1 . . . . . 3 DG H4' . 50378 4 25 . 4 . 4 3 3 DG H5' H 1 4.200 0.003 . 1 . . . . . 3 DG H5' . 50378 4 26 . 4 . 4 3 3 DG H5'' H 1 4.052 0.003 . 1 . . . . . 3 DG H5'' . 50378 4 27 . 4 . 4 3 3 DG H8 H 1 8.077 0.002 . 1 . . . . . 3 DG H8 . 50378 4 28 . 4 . 4 3 3 DG H21 H 1 9.510 0.000 . 1 . . . . . 3 DG H21 . 50378 4 29 . 4 . 4 3 3 DG H22 H 1 5.950 0.024 . 1 . . . . . 3 DG H22 . 50378 4 30 . 4 . 4 4 4 DG H1 H 1 11.079 0.003 . 1 . . . . . 4 DG H1 . 50378 4 31 . 4 . 4 4 4 DG H1' H 1 6.081 0.004 . 1 . . . . . 4 DG H1' . 50378 4 32 . 4 . 4 4 4 DG H2' H 1 2.699 0.003 . 1 . . . . . 4 DG H2' . 50378 4 33 . 4 . 4 4 4 DG H2'' H 1 2.901 0.004 . 1 . . . . . 4 DG H2'' . 50378 4 34 . 4 . 4 4 4 DG H3' H 1 5.059 0.003 . 1 . . . . . 4 DG H3' . 50378 4 35 . 4 . 4 4 4 DG H4' H 1 4.547 0.005 . 1 . . . . . 4 DG H4' . 50378 4 36 . 4 . 4 4 4 DG H5' H 1 4.289 0.003 . 1 . . . . . 4 DG H5' . 50378 4 37 . 4 . 4 4 4 DG H8 H 1 7.742 0.002 . 1 . . . . . 4 DG H8 . 50378 4 38 . 4 . 4 4 4 DG H21 H 1 9.142 0.002 . 1 . . . . . 4 DG H21 . 50378 4 39 . 4 . 4 4 4 DG H22 H 1 6.076 0.000 . 1 . . . . . 4 DG H22 . 50378 4 40 . 4 . 4 5 5 DG H1 H 1 10.561 0.005 . 1 . . . . . 5 DG H1 . 50378 4 41 . 4 . 4 5 5 DG H1' H 1 6.305 0.005 . 1 . . . . . 5 DG H1' . 50378 4 42 . 4 . 4 5 5 DG H2' H 1 2.712 0.005 . 2 . . . . . 5 DG H2' . 50378 4 43 . 4 . 4 5 5 DG H2'' H 1 2.712 0.005 . 2 . . . . . 5 DG H2'' . 50378 4 44 . 4 . 4 5 5 DG H3' H 1 5.066 0.002 . 1 . . . . . 5 DG H3' . 50378 4 45 . 4 . 4 5 5 DG H4' H 1 4.573 0.005 . 1 . . . . . 5 DG H4' . 50378 4 46 . 4 . 4 5 5 DG H5' H 1 4.297 0.006 . 1 . . . . . 5 DG H5' . 50378 4 47 . 4 . 4 5 5 DG H5'' H 1 3.744 0.000 . 1 . . . . . 5 DG H5'' . 50378 4 48 . 4 . 4 5 5 DG H8 H 1 7.830 0.003 . 1 . . . . . 5 DG H8 . 50378 4 49 . 4 . 4 6 6 3DR H1'1 H 1 4.159 0.002 . 1 . . . . . 6 3DR H1'1 . 50378 4 50 . 4 . 4 6 6 3DR H1'2 H 1 4.045 0.004 . 1 . . . . . 6 3DR H1'2 . 50378 4 51 . 4 . 4 6 6 3DR H2' H 1 2.290 0.001 . 1 . . . . . 6 3DR H2' . 50378 4 52 . 4 . 4 6 6 3DR H2'' H 1 2.248 0.007 . 1 . . . . . 6 3DR H2'' . 50378 4 53 . 4 . 4 6 6 3DR H3' H 1 4.268 0.003 . 1 . . . . . 6 3DR H3' . 50378 4 54 . 4 . 4 6 6 3DR H4'1 H 1 4.707 0.004 . 1 . . . . . 6 3DR H4'1 . 50378 4 55 . 4 . 4 6 6 3DR H5' H 1 4.008 0.003 . 1 . . . . . 6 3DR H5' . 50378 4 56 . 4 . 4 6 6 3DR H5'' H 1 4.065 0.003 . 1 . . . . . 6 3DR H5'' . 50378 4 57 . 4 . 4 7 7 3DR H1'1 H 1 4.211 0.003 . 1 . . . . . 7 3DR H1'1 . 50378 4 58 . 4 . 4 7 7 3DR H1'2 H 1 4.127 0.005 . 1 . . . . . 7 3DR H1'2 . 50378 4 59 . 4 . 4 7 7 3DR H2' H 1 2.351 0.003 . 1 . . . . . 7 3DR H2' . 50378 4 60 . 4 . 4 7 7 3DR H2'' H 1 2.263 0.004 . 1 . . . . . 7 3DR H2'' . 50378 4 61 . 4 . 4 7 7 3DR H3' H 1 4.807 0.003 . 1 . . . . . 7 3DR H3' . 50378 4 62 . 4 . 4 7 7 3DR H4'1 H 1 4.319 0.001 . 1 . . . . . 7 3DR H4'1 . 50378 4 63 . 4 . 4 7 7 3DR H5' H 1 3.942 0.003 . 1 . . . . . 7 3DR H5' . 50378 4 64 . 4 . 4 7 7 3DR H5'' H 1 4.122 0.001 . 1 . . . . . 7 3DR H5'' . 50378 4 65 . 4 . 4 8 8 DG H1 H 1 11.269 0.002 . 1 . . . . . 8 DG H1 . 50378 4 66 . 4 . 4 8 8 DG H1' H 1 6.126 0.006 . 1 . . . . . 8 DG H1' . 50378 4 67 . 4 . 4 8 8 DG H2' H 1 2.556 0.003 . 1 . . . . . 8 DG H2' . 50378 4 68 . 4 . 4 8 8 DG H2'' H 1 2.946 0.005 . 1 . . . . . 8 DG H2'' . 50378 4 69 . 4 . 4 8 8 DG H3' H 1 4.992 0.005 . 1 . . . . . 8 DG H3' . 50378 4 70 . 4 . 4 8 8 DG H4' H 1 4.490 0.002 . 1 . . . . . 8 DG H4' . 50378 4 71 . 4 . 4 8 8 DG H5' H 1 4.219 0.003 . 1 . . . . . 8 DG H5' . 50378 4 72 . 4 . 4 8 8 DG H5'' H 1 4.164 0.003 . 1 . . . . . 8 DG H5'' . 50378 4 73 . 4 . 4 8 8 DG H8 H 1 8.010 0.004 . 1 . . . . . 8 DG H8 . 50378 4 74 . 4 . 4 8 8 DG H21 H 1 9.300 0.000 . 1 . . . . . 8 DG H21 . 50378 4 75 . 4 . 4 9 9 DG H1 H 1 10.988 0.004 . 1 . . . . . 9 DG H1 . 50378 4 76 . 4 . 4 9 9 DG H1' H 1 6.140 0.004 . 1 . . . . . 9 DG H1' . 50378 4 77 . 4 . 4 9 9 DG H2' H 1 2.622 0.005 . 1 . . . . . 9 DG H2' . 50378 4 78 . 4 . 4 9 9 DG H2'' H 1 2.892 0.008 . 1 . . . . . 9 DG H2'' . 50378 4 79 . 4 . 4 9 9 DG H3' H 1 5.039 0.003 . 1 . . . . . 9 DG H3' . 50378 4 80 . 4 . 4 9 9 DG H4' H 1 4.539 0.003 . 1 . . . . . 9 DG H4' . 50378 4 81 . 4 . 4 9 9 DG H5' H 1 4.300 0.005 . 1 . . . . . 9 DG H5' . 50378 4 82 . 4 . 4 9 9 DG H5'' H 1 4.343 0.001 . 1 . . . . . 9 DG H5'' . 50378 4 83 . 4 . 4 9 9 DG H8 H 1 7.721 0.005 . 1 . . . . . 9 DG H8 . 50378 4 84 . 4 . 4 9 9 DG H21 H 1 9.089 0.003 . 1 . . . . . 9 DG H21 . 50378 4 85 . 4 . 4 9 9 DG H22 H 1 6.525 0.002 . 1 . . . . . 9 DG H22 . 50378 4 86 . 4 . 4 10 10 DG H1 H 1 10.593 0.005 . 1 . . . . . 10 DG H1 . 50378 4 87 . 4 . 4 10 10 DG H1' H 1 6.420 0.006 . 1 . . . . . 10 DG H1' . 50378 4 88 . 4 . 4 10 10 DG H2' H 1 2.637 0.002 . 1 . . . . . 10 DG H2' . 50378 4 89 . 4 . 4 10 10 DG H2'' H 1 2.800 0.006 . 1 . . . . . 10 DG H2'' . 50378 4 90 . 4 . 4 10 10 DG H3' H 1 5.146 0.003 . 1 . . . . . 10 DG H3' . 50378 4 91 . 4 . 4 10 10 DG H4' H 1 4.596 0.009 . 1 . . . . . 10 DG H4' . 50378 4 92 . 4 . 4 10 10 DG H5' H 1 4.314 0.005 . 1 . . . . . 10 DG H5' . 50378 4 93 . 4 . 4 10 10 DG H8 H 1 7.790 0.004 . 1 . . . . . 10 DG H8 . 50378 4 94 . 4 . 4 11 11 DC H1' H 1 6.469 0.002 . 1 . . . . . 11 DC H1' . 50378 4 95 . 4 . 4 11 11 DC H2' H 1 2.420 0.002 . 1 . . . . . 11 DC H2' . 50378 4 96 . 4 . 4 11 11 DC H2'' H 1 2.742 0.002 . 1 . . . . . 11 DC H2'' . 50378 4 97 . 4 . 4 11 11 DC H3' H 1 5.065 0.002 . 1 . . . . . 11 DC H3' . 50378 4 98 . 4 . 4 11 11 DC H4' H 1 4.576 0.005 . 1 . . . . . 11 DC H4' . 50378 4 99 . 4 . 4 11 11 DC H5 H 1 6.176 0.000 . 1 . . . . . 11 DC H5 . 50378 4 100 . 4 . 4 11 11 DC H5' H 1 4.295 0.003 . 1 . . . . . 11 DC H5' . 50378 4 101 . 4 . 4 11 11 DC H5'' H 1 4.370 0.003 . 1 . . . . . 11 DC H5'' . 50378 4 102 . 4 . 4 11 11 DC H6 H 1 7.992 0.003 . 1 . . . . . 11 DC H6 . 50378 4 103 . 4 . 4 12 12 DG H1 H 1 11.104 0.001 . 1 . . . . . 12 DG H1 . 50378 4 104 . 4 . 4 12 12 DG H1' H 1 6.158 0.006 . 1 . . . . . 12 DG H1' . 50378 4 105 . 4 . 4 12 12 DG H2' H 1 2.422 0.001 . 1 . . . . . 12 DG H2' . 50378 4 106 . 4 . 4 12 12 DG H2'' H 1 2.899 0.006 . 1 . . . . . 12 DG H2'' . 50378 4 107 . 4 . 4 12 12 DG H3' H 1 5.146 0.001 . 1 . . . . . 12 DG H3' . 50378 4 108 . 4 . 4 12 12 DG H4' H 1 4.510 0.007 . 1 . . . . . 12 DG H4' . 50378 4 109 . 4 . 4 12 12 DG H5' H 1 4.253 0.003 . 1 . . . . . 12 DG H5' . 50378 4 110 . 4 . 4 12 12 DG H5'' H 1 4.357 0.004 . 1 . . . . . 12 DG H5'' . 50378 4 111 . 4 . 4 12 12 DG H8 H 1 7.966 0.003 . 1 . . . . . 12 DG H8 . 50378 4 112 . 4 . 4 12 12 DG H22 H 1 6.049 0.000 . 1 . . . . . 12 DG H22 . 50378 4 113 . 4 . 4 13 13 DG H1 H 1 11.046 0.003 . 1 . . . . . 13 DG H1 . 50378 4 114 . 4 . 4 13 13 DG H1' H 1 6.062 0.005 . 1 . . . . . 13 DG H1' . 50378 4 115 . 4 . 4 13 13 DG H2' H 1 2.654 0.006 . 1 . . . . . 13 DG H2' . 50378 4 116 . 4 . 4 13 13 DG H2'' H 1 2.847 0.005 . 1 . . . . . 13 DG H2'' . 50378 4 117 . 4 . 4 13 13 DG H3' H 1 5.084 0.007 . 1 . . . . . 13 DG H3' . 50378 4 118 . 4 . 4 13 13 DG H4' H 1 4.532 0.004 . 1 . . . . . 13 DG H4' . 50378 4 119 . 4 . 4 13 13 DG H5' H 1 4.302 0.004 . 1 . . . . . 13 DG H5' . 50378 4 120 . 4 . 4 13 13 DG H8 H 1 7.786 0.004 . 1 . . . . . 13 DG H8 . 50378 4 121 . 4 . 4 13 13 DG H21 H 1 9.123 0.000 . 1 . . . . . 13 DG H21 . 50378 4 122 . 4 . 4 13 13 DG H22 H 1 6.052 0.000 . 1 . . . . . 13 DG H22 . 50378 4 123 . 4 . 4 14 14 DG H1 H 1 10.595 0.003 . 1 . . . . . 14 DG H1 . 50378 4 124 . 4 . 4 14 14 DG H1' H 1 6.336 0.008 . 1 . . . . . 14 DG H1' . 50378 4 125 . 4 . 4 14 14 DG H2' H 1 2.646 0.004 . 1 . . . . . 14 DG H2' . 50378 4 126 . 4 . 4 14 14 DG H2'' H 1 2.730 0.004 . 1 . . . . . 14 DG H2'' . 50378 4 127 . 4 . 4 14 14 DG H3' H 1 5.068 0.001 . 1 . . . . . 14 DG H3' . 50378 4 128 . 4 . 4 14 14 DG H4' H 1 4.574 0.004 . 1 . . . . . 14 DG H4' . 50378 4 129 . 4 . 4 14 14 DG H5' H 1 4.301 0.005 . 1 . . . . . 14 DG H5' . 50378 4 130 . 4 . 4 14 14 DG H8 H 1 7.824 0.005 . 1 . . . . . 14 DG H8 . 50378 4 131 . 4 . 4 15 15 3DR H1'1 H 1 4.162 0.007 . 1 . . . . . 15 3DR H1'1 . 50378 4 132 . 4 . 4 15 15 3DR H1'2 H 1 4.063 0.007 . 1 . . . . . 15 3DR H1'2 . 50378 4 133 . 4 . 4 15 15 3DR H2' H 1 2.279 0.002 . 1 . . . . . 15 3DR H2' . 50378 4 134 . 4 . 4 15 15 3DR H2'' H 1 2.235 0.008 . 1 . . . . . 15 3DR H2'' . 50378 4 135 . 4 . 4 15 15 3DR H3' H 1 4.271 0.002 . 1 . . . . . 15 3DR H3' . 50378 4 136 . 4 . 4 15 15 3DR H4'1 H 1 4.707 0.005 . 1 . . . . . 15 3DR H4'1 . 50378 4 137 . 4 . 4 15 15 3DR H5' H 1 4.003 0.001 . 1 . . . . . 15 3DR H5' . 50378 4 138 . 4 . 4 15 15 3DR H5'' H 1 4.054 0.001 . 1 . . . . . 15 3DR H5'' . 50378 4 139 . 4 . 4 16 16 3DR H1'1 H 1 4.205 0.001 . 1 . . . . . 16 3DR H1'1 . 50378 4 140 . 4 . 4 16 16 3DR H1'2 H 1 4.149 0.001 . 1 . . . . . 16 3DR H1'2 . 50378 4 141 . 4 . 4 16 16 3DR H2' H 1 2.342 0.004 . 1 . . . . . 16 3DR H2' . 50378 4 142 . 4 . 4 16 16 3DR H2'' H 1 2.269 0.003 . 1 . . . . . 16 3DR H2'' . 50378 4 143 . 4 . 4 16 16 3DR H3' H 1 4.808 0.003 . 1 . . . . . 16 3DR H3' . 50378 4 144 . 4 . 4 16 16 3DR H4'1 H 1 4.032 0.001 . 1 . . . . . 16 3DR H4'1 . 50378 4 145 . 4 . 4 16 16 3DR H5' H 1 3.933 0.007 . 1 . . . . . 16 3DR H5' . 50378 4 146 . 4 . 4 16 16 3DR H5'' H 1 4.108 0.007 . 1 . . . . . 16 3DR H5'' . 50378 4 147 . 4 . 4 17 17 DG H1 H 1 11.102 0.002 . 1 . . . . . 17 DG H1 . 50378 4 148 . 4 . 4 17 17 DG H1' H 1 6.084 0.004 . 1 . . . . . 17 DG H1' . 50378 4 149 . 4 . 4 17 17 DG H2' H 1 2.550 0.004 . 1 . . . . . 17 DG H2' . 50378 4 150 . 4 . 4 17 17 DG H2'' H 1 2.867 0.004 . 1 . . . . . 17 DG H2'' . 50378 4 151 . 4 . 4 17 17 DG H3' H 1 4.961 0.004 . 1 . . . . . 17 DG H3' . 50378 4 152 . 4 . 4 17 17 DG H4' H 1 4.493 0.004 . 1 . . . . . 17 DG H4' . 50378 4 153 . 4 . 4 17 17 DG H5' H 1 4.229 0.002 . 1 . . . . . 17 DG H5' . 50378 4 154 . 4 . 4 17 17 DG H5'' H 1 4.338 0.002 . 1 . . . . . 17 DG H5'' . 50378 4 155 . 4 . 4 17 17 DG H8 H 1 7.988 0.003 . 1 . . . . . 17 DG H8 . 50378 4 156 . 4 . 4 17 17 DG H21 H 1 9.236 0.000 . 1 . . . . . 17 DG H21 . 50378 4 157 . 4 . 4 18 18 DG H1 H 1 11.072 0.003 . 1 . . . . . 18 DG H1 . 50378 4 158 . 4 . 4 18 18 DG H1' H 1 6.097 0.005 . 1 . . . . . 18 DG H1' . 50378 4 159 . 4 . 4 18 18 DG H2' H 1 2.695 0.003 . 1 . . . . . 18 DG H2' . 50378 4 160 . 4 . 4 18 18 DG H2'' H 1 2.829 0.006 . 1 . . . . . 18 DG H2'' . 50378 4 161 . 4 . 4 18 18 DG H3' H 1 5.072 0.005 . 1 . . . . . 18 DG H3' . 50378 4 162 . 4 . 4 18 18 DG H4' H 1 4.534 0.003 . 1 . . . . . 18 DG H4' . 50378 4 163 . 4 . 4 18 18 DG H5' H 1 4.238 0.003 . 1 . . . . . 18 DG H5' . 50378 4 164 . 4 . 4 18 18 DG H8 H 1 7.779 0.005 . 1 . . . . . 18 DG H8 . 50378 4 165 . 4 . 4 18 18 DG H21 H 1 9.324 0.003 . 1 . . . . . 18 DG H21 . 50378 4 166 . 4 . 4 18 18 DG H22 H 1 6.008 0.000 . 1 . . . . . 18 DG H22 . 50378 4 167 . 4 . 4 19 19 DG H1 H 1 10.622 0.001 . 1 . . . . . 19 DG H1 . 50378 4 168 . 4 . 4 19 19 DG H1' H 1 6.316 0.002 . 1 . . . . . 19 DG H1' . 50378 4 169 . 4 . 4 19 19 DG H2' H 1 2.712 0.005 . 1 . . . . . 19 DG H2' . 50378 4 170 . 4 . 4 19 19 DG H2'' H 1 2.811 0.002 . 1 . . . . . 19 DG H2'' . 50378 4 171 . 4 . 4 19 19 DG H3' H 1 5.070 0.003 . 1 . . . . . 19 DG H3' . 50378 4 172 . 4 . 4 19 19 DG H4' H 1 4.541 0.005 . 1 . . . . . 19 DG H4' . 50378 4 173 . 4 . 4 19 19 DG H5' H 1 4.254 0.003 . 1 . . . . . 19 DG H5' . 50378 4 174 . 4 . 4 19 19 DG H5'' H 1 4.339 0.000 . 1 . . . . . 19 DG H5'' . 50378 4 175 . 4 . 4 19 19 DG H8 H 1 7.767 0.005 . 1 . . . . . 19 DG H8 . 50378 4 176 . 4 . 4 20 20 DT H1' H 1 6.266 0.002 . 1 . . . . . 20 DT H1' . 50378 4 177 . 4 . 4 20 20 DT H2' H 1 2.345 0.003 . 2 . . . . . 20 DT H2' . 50378 4 178 . 4 . 4 20 20 DT H2'' H 1 2.345 0.003 . 2 . . . . . 20 DT H2'' . 50378 4 179 . 4 . 4 20 20 DT H3' H 1 4.601 0.004 . 1 . . . . . 20 DT H3' . 50378 4 180 . 4 . 4 20 20 DT H4' H 1 4.239 0.006 . 1 . . . . . 20 DT H4' . 50378 4 181 . 4 . 4 20 20 DT H5' H 1 4.188 0.005 . 1 . . . . . 20 DT H5' . 50378 4 182 . 4 . 4 20 20 DT H5'' H 1 4.157 0.000 . 1 . . . . . 20 DT H5'' . 50378 4 183 . 4 . 4 20 20 DT H6 H 1 7.655 0.002 . 1 . . . . . 20 DT H6 . 50378 4 184 . 4 . 4 20 20 DT H71 H 1 1.895 0.003 . 2 . . . . . 20 DT H71 . 50378 4 185 . 4 . 4 20 20 DT H72 H 1 1.895 0.003 . 2 . . . . . 20 DT H72 . 50378 4 186 . 4 . 4 20 20 DT H73 H 1 1.895 0.003 . 2 . . . . . 20 DT H73 . 50378 4 stop_ save_