data_4104 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4104 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments of the 14mer DNA Duplex BS2 in the Complex with the Antennapedia Homeodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-01-28 _Entry.Accession_date 1997-02-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The data reported here represent the 1H, 13C and 15N chemical shifts of a 13C/15N doubly labeled 14mer DNA duplex comprising the operator sequence BS2 in the complex with the Antennapedia Homeodomain (BS2-AntpHD complex). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Cesar Fernandez . . . 4104 2 Thomas Szyperski . . . 4104 3 Akira Ono . . . 4104 4 Hideo Iwai . . . 4104 5 Shin-ichi Tate . . . 4104 6 Masatsune Kainosho . . . 4104 7 Kurt Wuthrich . . . 4104 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4104 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 176 4104 '15N chemical shifts' 23 4104 '1H chemical shifts' 257 4104 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-07-14 1998-01-30 update BMRB 'update DNA residue label to two-letter code' 4104 1 . . 1998-07-14 1998-01-30 original author 'original release' 4104 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4103 'uncomplexed 14mer DNA duplex' 4104 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4104 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Fernandez, C., Szyperski, T., Ono, A., Iwai, H., Tate, S., Kainosho, M. and Wuthrich, K., "NMR with 13C,15N-doubly-labeled DNA: the Antennapedia Homeodomain Complex with a 14mer DNA Duplex," J. Biomol. NMR, in press (1998). ; _Citation.Title ; NMR with 13C,15N-doubly-labeled DNA: the Antennapedia Homeodomain Complex with a 14mer DNA Duplex ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cesar Fernandez . . . 4104 1 2 Thomas Szyperski . . . 4104 1 3 Akira Ono . . . 4104 1 4 Hideo Iwai . . . 4104 1 5 Shin-ichi Tate . . . 4104 1 6 Masatsune Kainosho . . . 4104 1 7 Kurt Wuthrich . . . 4104 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'isotope labeling' 4104 1 'NMR spectroscopy' 4104 1 'Nucleic acids' 4104 1 'protein-DNA complex' 4104 1 'sequential resonance assignment' 4104 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BS2-AntpHD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BS2-AntpHD _Assembly.Entry_ID 4104 _Assembly.ID 1 _Assembly.Name 'BS2 operator DNA complexed with the Antennapedia Homeodomain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4104 1 stop_ 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 BS2_strand_A 1 $BS2A . . yes native . . . . . 4104 1 2 BS2_strand_B 2 $BS2B . . yes native . . . . . 4104 1 3 AntpHD 3 $AntpHD . . no native . . . . . 4104 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1AHD . 'Antennapedia Protein (Homeodomain) Mutant With Cys 39 DNA Complex' . . . . 4104 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BS2-AntpHD abbreviation 4104 1 'BS2 operator DNA complexed with the Antennapedia Homeodomain' system 4104 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; DNA operator sequence interacts with the Antennapedia Homeodomain. This DNA sequence is part of a developmental regulatory system responsible for the body plan in Drosophila melanogaster during embryogenesis. ; 4104 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BS2A _Entity.Sf_category entity _Entity.Sf_framecode BS2A _Entity.Entry_ID 4104 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BS2_strand_A _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 GAAAGCCATTAGAG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 'plus strand, 14mer' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BS2A abbreviation 4104 1 BS2_strand_A common 4104 1 stop_ 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 . DG . 4104 1 2 . DA . 4104 1 3 . DA . 4104 1 4 . DA . 4104 1 5 . DG . 4104 1 6 . DC . 4104 1 7 . DC . 4104 1 8 . DA . 4104 1 9 . DT . 4104 1 10 . DT . 4104 1 11 . DA . 4104 1 12 . DG . 4104 1 13 . DA . 4104 1 14 . DG . 4104 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 . DG 1 1 4104 1 . DA 2 2 4104 1 . DA 3 3 4104 1 . DA 4 4 4104 1 . DG 5 5 4104 1 . DC 6 6 4104 1 . DC 7 7 4104 1 . DA 8 8 4104 1 . DT 9 9 4104 1 . DT 10 10 4104 1 . DA 11 11 4104 1 . DG 12 12 4104 1 . DA 13 13 4104 1 . DG 14 14 4104 1 stop_ save_ save_BS2B _Entity.Sf_category entity _Entity.Sf_framecode BS2B _Entity.Entry_ID 4104 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name BS2_strand_B _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 CTCTAATGGCTTTC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 'minus strand, 14mer' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BS2B abbreviation 4104 2 BS2_strand_B common 4104 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . 4104 2 2 . DT . 4104 2 3 . DC . 4104 2 4 . DT . 4104 2 5 . DA . 4104 2 6 . DA . 4104 2 7 . DT . 4104 2 8 . DG . 4104 2 9 . DG . 4104 2 10 . DC . 4104 2 11 . DT . 4104 2 12 . DT . 4104 2 13 . DT . 4104 2 14 . DC . 4104 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 . DC 1 1 4104 2 . DT 2 2 4104 2 . DC 3 3 4104 2 . DT 4 4 4104 2 . DA 5 5 4104 2 . DA 6 6 4104 2 . DT 7 7 4104 2 . DG 8 8 4104 2 . DG 9 9 4104 2 . DC 10 10 4104 2 . DT 11 11 4104 2 . DT 12 12 4104 2 . DT 13 13 4104 2 . DC 14 14 4104 2 stop_ save_ save_AntpHD _Entity.Sf_category entity _Entity.Sf_framecode AntpHD _Entity.Entry_ID 4104 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 'Antennapedia Homeodomain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRKRGRQTYTRYQTLELEKE FHFNRYLTRRRRIEIAHALS LTERQIKIWFQNRRMKWKKE NKTKGEPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1037 . antennepedia . . . . . 100.00 68 98.53 98.53 3.44e-39 . . . . 4104 3 2 no PDB 1AHD . "Determination Of The Nmr Solution Structure Of An Antennapedia Homeodomain-Dna Complex" . . . . . 98.53 68 100.00 100.00 6.98e-39 . . . . 4104 3 3 no PDB 1HOM . "Determination Of The Three-Dimensional Structure Of The Antennapedia Homeodomain From Drosophila In Solution By 1h Nuclear Magn" . . . . . 100.00 68 98.53 98.53 3.44e-39 . . . . 4104 3 4 no PDB 1SAN . "The Des(1-6)antennapedia Homeodomain: Comparison Of The Nmr Solution Structure And The Dna Binding Affinity With The Intact Ant" . . . . . 89.71 62 100.00 100.00 7.58e-35 . . . . 4104 3 5 no PDB 2HOA . "Structure Determination Of The Antp(C39->s) Homeodomain From Nuclear Magnetic Resonance Data In Solution Using A Novel Strategy" . . . . . 98.53 68 100.00 100.00 6.98e-39 . . . . 4104 3 6 no PDB 9ANT . "Antennapedia Homeodomain-Dna Complex" . . . . . 88.24 62 100.00 100.00 4.69e-33 . . . . 4104 3 7 no DBJ BAA04087 . "Antennapedia homologue protein [Bombyx mori]" . . . . . 98.53 259 98.51 98.51 1.89e-35 . . . . 4104 3 8 no DBJ BAE97003 . "Antennapedia [Porcellio scaber]" . . . . . 80.88 258 98.18 98.18 4.00e-26 . . . . 4104 3 9 no DBJ BAM20301 . "sex combs reduced, partial [Papilio xuthus]" . . . . . 52.94 36 97.22 97.22 1.52e-14 . . . . 4104 3 10 no EMBL CAA27417 . "antennapedia protein [Drosophila melanogaster]" . . . . . 98.53 378 98.51 98.51 3.41e-35 . . . . 4104 3 11 no EMBL CAA43307 . "Antp [Drosophila subobscura]" . . . . . 98.53 394 98.51 98.51 1.16e-34 . . . . 4104 3 12 no EMBL CAB75740 . "putative Antennapedia [Pachymerium ferrugineum]" . . . . . 58.82 40 97.50 97.50 1.98e-17 . . . . 4104 3 13 no EMBL CCA94746 . "antennapedia, partial [Euperipatoides kanangrensis]" . . . . . 66.18 212 97.78 97.78 2.72e-20 . . . . 4104 3 14 no GB AAA28373 . "Antennepedia protein, partial [Drosophila melanogaster]" . . . . . 98.53 74 97.01 97.01 2.86e-37 . . . . 4104 3 15 no GB AAA28376 . "Antennapedia differentiation protein [Drosophila melanogaster]" . . . . . 98.53 378 98.51 98.51 3.41e-35 . . . . 4104 3 16 no GB AAA28737 . "homeobox protein [Drosophila virilis]" . . . . . 98.53 82 98.51 98.51 2.64e-38 . . . . 4104 3 17 no GB AAA68461 . "putative, partial [Junonia coenia]" . . . . . 85.29 58 98.28 98.28 8.79e-31 . . . . 4104 3 18 no GB AAA70214 . "antennapedia protein [Drosophila melanogaster]" . . . . . 98.53 378 98.51 98.51 3.41e-35 . . . . 4104 3 19 no PIR H45186 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 75.00 62 98.04 98.04 1.37e-25 . . . . 4104 3 20 no PRF 1205216A . "gene Antp" . . . . . 98.53 378 98.51 98.51 3.41e-35 . . . . 4104 3 21 no REF NP_001034505 . "prothoraxless [Tribolium castaneum]" . . . . . 98.53 325 97.01 97.01 2.86e-32 . . . . 4104 3 22 no REF NP_001037319 . "antennapedia homologue protein [Bombyx mori]" . . . . . 98.53 259 98.51 98.51 1.89e-35 . . . . 4104 3 23 no REF NP_001161164 . "antennapedia-like protein [Nasonia vitripennis]" . . . . . 97.06 362 96.97 96.97 4.32e-33 . . . . 4104 3 24 no REF NP_996166 . "antennapedia, isoform K [Drosophila melanogaster]" . . . . . 98.53 361 98.51 98.51 1.83e-34 . . . . 4104 3 25 no REF NP_996167 . "antennapedia, isoform J [Drosophila melanogaster]" . . . . . 98.53 378 98.51 98.51 3.41e-35 . . . . 4104 3 26 no SP P02833 . "RecName: Full=Homeotic protein antennapedia" . . . . . 98.53 378 98.51 98.51 3.41e-35 . . . . 4104 3 27 no SP Q24645 . "RecName: Full=Homeotic protein antennapedia" . . . . . 98.53 394 98.51 98.51 1.16e-34 . . . . 4104 3 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Antennapedia Homeodomain' common 4104 3 AntpHD abbreviation 4104 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4104 3 2 . ARG . 4104 3 3 . LYS . 4104 3 4 . ARG . 4104 3 5 . GLY . 4104 3 6 . ARG . 4104 3 7 . GLN . 4104 3 8 . THR . 4104 3 9 . TYR . 4104 3 10 . THR . 4104 3 11 . ARG . 4104 3 12 . TYR . 4104 3 13 . GLN . 4104 3 14 . THR . 4104 3 15 . LEU . 4104 3 16 . GLU . 4104 3 17 . LEU . 4104 3 18 . GLU . 4104 3 19 . LYS . 4104 3 20 . GLU . 4104 3 21 . PHE . 4104 3 22 . HIS . 4104 3 23 . PHE . 4104 3 24 . ASN . 4104 3 25 . ARG . 4104 3 26 . TYR . 4104 3 27 . LEU . 4104 3 28 . THR . 4104 3 29 . ARG . 4104 3 30 . ARG . 4104 3 31 . ARG . 4104 3 32 . ARG . 4104 3 33 . ILE . 4104 3 34 . GLU . 4104 3 35 . ILE . 4104 3 36 . ALA . 4104 3 37 . HIS . 4104 3 38 . ALA . 4104 3 39 . LEU . 4104 3 40 . SER . 4104 3 41 . LEU . 4104 3 42 . THR . 4104 3 43 . GLU . 4104 3 44 . ARG . 4104 3 45 . GLN . 4104 3 46 . ILE . 4104 3 47 . LYS . 4104 3 48 . ILE . 4104 3 49 . TRP . 4104 3 50 . PHE . 4104 3 51 . GLN . 4104 3 52 . ASN . 4104 3 53 . ARG . 4104 3 54 . ARG . 4104 3 55 . MET . 4104 3 56 . LYS . 4104 3 57 . TRP . 4104 3 58 . LYS . 4104 3 59 . LYS . 4104 3 60 . GLU . 4104 3 61 . ASN . 4104 3 62 . LYS . 4104 3 63 . THR . 4104 3 64 . LYS . 4104 3 65 . GLY . 4104 3 66 . GLU . 4104 3 67 . PRO . 4104 3 68 . GLY . 4104 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 . MET 1 1 4104 3 . ARG 2 2 4104 3 . LYS 3 3 4104 3 . ARG 4 4 4104 3 . GLY 5 5 4104 3 . ARG 6 6 4104 3 . GLN 7 7 4104 3 . THR 8 8 4104 3 . TYR 9 9 4104 3 . THR 10 10 4104 3 . ARG 11 11 4104 3 . TYR 12 12 4104 3 . GLN 13 13 4104 3 . THR 14 14 4104 3 . LEU 15 15 4104 3 . GLU 16 16 4104 3 . LEU 17 17 4104 3 . GLU 18 18 4104 3 . LYS 19 19 4104 3 . GLU 20 20 4104 3 . PHE 21 21 4104 3 . HIS 22 22 4104 3 . PHE 23 23 4104 3 . ASN 24 24 4104 3 . ARG 25 25 4104 3 . TYR 26 26 4104 3 . LEU 27 27 4104 3 . THR 28 28 4104 3 . ARG 29 29 4104 3 . ARG 30 30 4104 3 . ARG 31 31 4104 3 . ARG 32 32 4104 3 . ILE 33 33 4104 3 . GLU 34 34 4104 3 . ILE 35 35 4104 3 . ALA 36 36 4104 3 . HIS 37 37 4104 3 . ALA 38 38 4104 3 . LEU 39 39 4104 3 . SER 40 40 4104 3 . LEU 41 41 4104 3 . THR 42 42 4104 3 . GLU 43 43 4104 3 . ARG 44 44 4104 3 . GLN 45 45 4104 3 . ILE 46 46 4104 3 . LYS 47 47 4104 3 . ILE 48 48 4104 3 . TRP 49 49 4104 3 . PHE 50 50 4104 3 . GLN 51 51 4104 3 . ASN 52 52 4104 3 . ARG 53 53 4104 3 . ARG 54 54 4104 3 . MET 55 55 4104 3 . LYS 56 56 4104 3 . TRP 57 57 4104 3 . LYS 58 58 4104 3 . LYS 59 59 4104 3 . GLU 60 60 4104 3 . ASN 61 61 4104 3 . LYS 62 62 4104 3 . THR 63 63 4104 3 . LYS 64 64 4104 3 . GLY 65 65 4104 3 . GLU 66 66 4104 3 . PRO 67 67 4104 3 . GLY 68 68 4104 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4104 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BS2A . . organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Animalia Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4104 1 2 2 $BS2B . . organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Animalia Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4104 1 3 3 $AntpHD . . organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Animalia Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4104 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4104 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 3 $AntpHD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4104 1 2 1 $BS2A . 'Chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4104 1 3 2 $BS2B . 'Chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4104 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 4104 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 BS2_strand_A [U-13C;U-15N] . . 1 $BS2A . . 1.0 . . mM . . . . 4104 1 2 BS2_strand_B [U-13C;U-15N] . . 2 $BS2B . . 1.0 . . mM . . . . 4104 1 3 'Antennapedia Homeodomain' [U-15N] . . 3 $AntpHD . . 1.0 . . mM . . . . 4104 1 4 D2O . . . . . . . 10 . . % . . . . 4104 1 5 H2O . . . . . . . 90 . . % . . . . 4104 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4104 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4104 1 temperature 309 . K 4104 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4104 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4104 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4104 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Varian Unity Plus' _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4104 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker DRX500 . 500 . . . 4104 1 2 NMR_spectrometer_two Bruker DRX600 . 600 . . . 4104 1 3 NMR_spectrometer_three 'Varian Unity Plus' 'Unity Plus' . 750 . . . 4104 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4104 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4104 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4104 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS protons . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4104 1 H 1 DSS methyl . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 4104 1 N 15 DSS protons . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4104 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4104 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; DNA duplex, sequence number (5') 1-14 (3'): plus strand ; _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 $sample . 4104 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DG C5' C 13 64.4 . . 1 . . . . . . . . 4104 1 2 . 1 1 1 1 DG H5' H 1 3.61 . . 2 . . . . . . . . 4104 1 3 . 1 1 1 1 DG C4' C 13 89.4 . . 1 . . . . . . . . 4104 1 4 . 1 1 1 1 DG H4' H 1 4.08 . . 1 . . . . . . . . 4104 1 5 . 1 1 1 1 DG H3' H 1 4.72 . . 1 . . . . . . . . 4104 1 6 . 1 1 1 1 DG C2' C 13 39.9 . . 1 . . . . . . . . 4104 1 7 . 1 1 1 1 DG H2' H 1 2.27 . . 1 . . . . . . . . 4104 1 8 . 1 1 1 1 DG H2'' H 1 2.47 . . 1 . . . . . . . . 4104 1 9 . 1 1 1 1 DG C1' C 13 85.7 . . 1 . . . . . . . . 4104 1 10 . 1 1 1 1 DG H1' H 1 5.46 . . 1 . . . . . . . . 4104 1 11 . 1 1 1 1 DG C8 C 13 139.0 . . 1 . . . . . . . . 4104 1 12 . 1 1 1 1 DG H8 H 1 7.74 . . 1 . . . . . . . . 4104 1 13 . 1 1 2 2 DA C5' C 13 68.4 . . 1 . . . . . . . . 4104 1 14 . 1 1 2 2 DA H5' H 1 4.08 . . 2 . . . . . . . . 4104 1 15 . 1 1 2 2 DA H5'' H 1 3.98 . . 2 . . . . . . . . 4104 1 16 . 1 1 2 2 DA C4' C 13 88.1 . . 1 . . . . . . . . 4104 1 17 . 1 1 2 2 DA H4' H 1 4.34 . . 1 . . . . . . . . 4104 1 18 . 1 1 2 2 DA C3' C 13 80.2 . . 1 . . . . . . . . 4104 1 19 . 1 1 2 2 DA H3' H 1 4.99 . . 1 . . . . . . . . 4104 1 20 . 1 1 2 2 DA C2' C 13 40.1 . . 1 . . . . . . . . 4104 1 21 . 1 1 2 2 DA H2' H 1 2.69 . . 1 . . . . . . . . 4104 1 22 . 1 1 2 2 DA H2'' H 1 2.82 . . 1 . . . . . . . . 4104 1 23 . 1 1 2 2 DA C1' C 13 85.0 . . 1 . . . . . . . . 4104 1 24 . 1 1 2 2 DA H1' H 1 5.85 . . 1 . . . . . . . . 4104 1 25 . 1 1 2 2 DA C2 C 13 154.1 . . 1 . . . . . . . . 4104 1 26 . 1 1 2 2 DA H2 H 1 7.40 . . 1 . . . . . . . . 4104 1 27 . 1 1 2 2 DA C8 C 13 141.2 . . 1 . . . . . . . . 4104 1 28 . 1 1 2 2 DA H8 H 1 8.13 . . 1 . . . . . . . . 4104 1 29 . 1 1 3 3 DA C5' C 13 68.1 . . 1 . . . . . . . . 4104 1 30 . 1 1 3 3 DA H5' H 1 4.32 . . 2 . . . . . . . . 4104 1 31 . 1 1 3 3 DA H5'' H 1 4.16 . . 2 . . . . . . . . 4104 1 32 . 1 1 3 3 DA C4' C 13 87.2 . . 1 . . . . . . . . 4104 1 33 . 1 1 3 3 DA H4' H 1 4.39 . . 1 . . . . . . . . 4104 1 34 . 1 1 3 3 DA C3' C 13 78.7 . . 1 . . . . . . . . 4104 1 35 . 1 1 3 3 DA H3' H 1 5.00 . . 1 . . . . . . . . 4104 1 36 . 1 1 3 3 DA C2' C 13 39.8 . . 1 . . . . . . . . 4104 1 37 . 1 1 3 3 DA H2' H 1 2.58 . . 1 . . . . . . . . 4104 1 38 . 1 1 3 3 DA H2'' H 1 2.81 . . 1 . . . . . . . . 4104 1 39 . 1 1 3 3 DA C1' C 13 84.1 . . 1 . . . . . . . . 4104 1 40 . 1 1 3 3 DA H1' H 1 5.84 . . 1 . . . . . . . . 4104 1 41 . 1 1 3 3 DA C2 C 13 153.7 . . 1 . . . . . . . . 4104 1 42 . 1 1 3 3 DA H2 H 1 7.16 . . 1 . . . . . . . . 4104 1 43 . 1 1 3 3 DA C8 C 13 140.6 . . 1 . . . . . . . . 4104 1 44 . 1 1 3 3 DA H8 H 1 7.97 . . 1 . . . . . . . . 4104 1 45 . 1 1 4 4 DA C5' C 13 68.1 . . 1 . . . . . . . . 4104 1 46 . 1 1 4 4 DA H5' H 1 4.33 . . 2 . . . . . . . . 4104 1 47 . 1 1 4 4 DA H5'' H 1 4.24 . . 2 . . . . . . . . 4104 1 48 . 1 1 4 4 DA C4' C 13 86.1 . . 1 . . . . . . . . 4104 1 49 . 1 1 4 4 DA H4' H 1 4.44 . . 1 . . . . . . . . 4104 1 50 . 1 1 4 4 DA C3' C 13 76.6 . . 1 . . . . . . . . 4104 1 51 . 1 1 4 4 DA H3' H 1 4.80 . . 1 . . . . . . . . 4104 1 52 . 1 1 4 4 DA C2' C 13 42.2 . . 1 . . . . . . . . 4104 1 53 . 1 1 4 4 DA H2' H 1 2.58 . . 1 . . . . . . . . 4104 1 54 . 1 1 4 4 DA H2'' H 1 2.86 . . 1 . . . . . . . . 4104 1 55 . 1 1 4 4 DA C1' C 13 85.4 . . 1 . . . . . . . . 4104 1 56 . 1 1 4 4 DA H1' H 1 6.04 . . 1 . . . . . . . . 4104 1 57 . 1 1 4 4 DA C2 C 13 153.7 . . 1 . . . . . . . . 4104 1 58 . 1 1 4 4 DA H2 H 1 7.36 . . 1 . . . . . . . . 4104 1 59 . 1 1 4 4 DA C8 C 13 140.1 . . 1 . . . . . . . . 4104 1 60 . 1 1 4 4 DA H8 H 1 7.89 . . 1 . . . . . . . . 4104 1 61 . 1 1 5 5 DG C5' C 13 67.9 . . 1 . . . . . . . . 4104 1 62 . 1 1 5 5 DG H5' H 1 4.19 . . 2 . . . . . . . . 4104 1 63 . 1 1 5 5 DG H5'' H 1 4.17 . . 2 . . . . . . . . 4104 1 64 . 1 1 5 5 DG C4' C 13 85.5 . . 1 . . . . . . . . 4104 1 65 . 1 1 5 5 DG H4' H 1 4.32 . . 1 . . . . . . . . 4104 1 66 . 1 1 5 5 DG C3' C 13 76.2 . . 1 . . . . . . . . 4104 1 67 . 1 1 5 5 DG H3' H 1 5.07 . . 1 . . . . . . . . 4104 1 68 . 1 1 5 5 DG C2' C 13 42.8 . . 1 . . . . . . . . 4104 1 69 . 1 1 5 5 DG H2' H 1 2.39 . . 1 . . . . . . . . 4104 1 70 . 1 1 5 5 DG H2'' H 1 2.70 . . 1 . . . . . . . . 4104 1 71 . 1 1 5 5 DG C1' C 13 85.5 . . 1 . . . . . . . . 4104 1 72 . 1 1 5 5 DG H1' H 1 5.84 . . 1 . . . . . . . . 4104 1 73 . 1 1 5 5 DG N2 N 15 75.6 . . 1 . . . . . . . . 4104 1 74 . 1 1 5 5 DG N1 N 15 147.0 . . 1 . . . . . . . . 4104 1 75 . 1 1 5 5 DG H1 H 1 12.89 . . 1 . . . . . . . . 4104 1 76 . 1 1 5 5 DG C8 C 13 136.1 . . 1 . . . . . . . . 4104 1 77 . 1 1 5 5 DG H8 H 1 7.38 . . 1 . . . . . . . . 4104 1 78 . 1 1 6 6 DC C5' C 13 67.5 . . 1 . . . . . . . . 4104 1 79 . 1 1 6 6 DC H5' H 1 4.07 . . 2 . . . . . . . . 4104 1 80 . 1 1 6 6 DC H5'' H 1 4.00 . . 2 . . . . . . . . 4104 1 81 . 1 1 6 6 DC C4' C 13 86.8 . . 1 . . . . . . . . 4104 1 82 . 1 1 6 6 DC H4' H 1 4.25 . . 1 . . . . . . . . 4104 1 83 . 1 1 6 6 DC C3' C 13 80.0 . . 1 . . . . . . . . 4104 1 84 . 1 1 6 6 DC H3' H 1 4.83 . . 1 . . . . . . . . 4104 1 85 . 1 1 6 6 DC C2' C 13 40.5 . . 1 . . . . . . . . 4104 1 86 . 1 1 6 6 DC H2' H 1 1.75 . . 1 . . . . . . . . 4104 1 87 . 1 1 6 6 DC H2'' H 1 2.54 . . 1 . . . . . . . . 4104 1 88 . 1 1 6 6 DC C1' C 13 87.2 . . 1 . . . . . . . . 4104 1 89 . 1 1 6 6 DC H1' H 1 6.06 . . 1 . . . . . . . . 4104 1 90 . 1 1 6 6 DC N4 N 15 98.6 . . 1 . . . . . . . . 4104 1 91 . 1 1 6 6 DC H41 H 1 8.32 . . 1 . . . . . . . . 4104 1 92 . 1 1 6 6 DC H42 H 1 5.71 . . 1 . . . . . . . . 4104 1 93 . 1 1 6 6 DC H5 H 1 4.66 . . 1 . . . . . . . . 4104 1 94 . 1 1 6 6 DC C6 C 13 142.7 . . 1 . . . . . . . . 4104 1 95 . 1 1 6 6 DC H6 H 1 7.14 . . 1 . . . . . . . . 4104 1 96 . 1 1 7 7 DC C5' C 13 66.2 . . 1 . . . . . . . . 4104 1 97 . 1 1 7 7 DC H5' H 1 4.06 . . 2 . . . . . . . . 4104 1 98 . 1 1 7 7 DC H5'' H 1 4.01 . . 2 . . . . . . . . 4104 1 99 . 1 1 7 7 DC C4' C 13 84.6 . . 1 . . . . . . . . 4104 1 100 . 1 1 7 7 DC H4' H 1 3.92 . . 1 . . . . . . . . 4104 1 101 . 1 1 7 7 DC C3' C 13 74.9 . . 1 . . . . . . . . 4104 1 102 . 1 1 7 7 DC H3' H 1 4.70 . . 1 . . . . . . . . 4104 1 103 . 1 1 7 7 DC C2' C 13 39.8 . . 1 . . . . . . . . 4104 1 104 . 1 1 7 7 DC H2' H 1 1.80 . . 1 . . . . . . . . 4104 1 105 . 1 1 7 7 DC H2'' H 1 2.27 . . 1 . . . . . . . . 4104 1 106 . 1 1 7 7 DC C1' C 13 85.4 . . 1 . . . . . . . . 4104 1 107 . 1 1 7 7 DC H1' H 1 5.28 . . 1 . . . . . . . . 4104 1 108 . 1 1 7 7 DC N4 N 15 98.1 . . 1 . . . . . . . . 4104 1 109 . 1 1 7 7 DC H41 H 1 8.35 . . 1 . . . . . . . . 4104 1 110 . 1 1 7 7 DC H42 H 1 5.77 . . 1 . . . . . . . . 4104 1 111 . 1 1 7 7 DC C5 C 13 98.1 . . 1 . . . . . . . . 4104 1 112 . 1 1 7 7 DC H5 H 1 5.39 . . 1 . . . . . . . . 4104 1 113 . 1 1 7 7 DC C6 C 13 142.8 . . 1 . . . . . . . . 4104 1 114 . 1 1 7 7 DC H6 H 1 7.24 . . 1 . . . . . . . . 4104 1 115 . 1 1 8 8 DA C5' C 13 68.4 . . 1 . . . . . . . . 4104 1 116 . 1 1 8 8 DA H5' H 1 4.07 . . 2 . . . . . . . . 4104 1 117 . 1 1 8 8 DA H5'' H 1 4.01 . . 2 . . . . . . . . 4104 1 118 . 1 1 8 8 DA C4' C 13 88.1 . . 1 . . . . . . . . 4104 1 119 . 1 1 8 8 DA H4' H 1 4.41 . . 1 . . . . . . . . 4104 1 120 . 1 1 8 8 DA C3' C 13 80.2 . . 1 . . . . . . . . 4104 1 121 . 1 1 8 8 DA H3' H 1 4.95 . . 1 . . . . . . . . 4104 1 122 . 1 1 8 8 DA C2' C 13 40.7 . . 1 . . . . . . . . 4104 1 123 . 1 1 8 8 DA H2' H 1 2.60 . . 1 . . . . . . . . 4104 1 124 . 1 1 8 8 DA H2'' H 1 2.96 . . 1 . . . . . . . . 4104 1 125 . 1 1 8 8 DA C1' C 13 85.1 . . 1 . . . . . . . . 4104 1 126 . 1 1 8 8 DA H1' H 1 6.29 . . 1 . . . . . . . . 4104 1 127 . 1 1 8 8 DA C2 C 13 154.5 . . 1 . . . . . . . . 4104 1 128 . 1 1 8 8 DA H2 H 1 7.56 . . 1 . . . . . . . . 4104 1 129 . 1 1 8 8 DA N6 N 15 81.7 . . 1 . . . . . . . . 4104 1 130 . 1 1 8 8 DA H61 H 1 7.90 . . 1 . . . . . . . . 4104 1 131 . 1 1 8 8 DA H62 H 1 6.17 . . 1 . . . . . . . . 4104 1 132 . 1 1 8 8 DA C8 C 13 141.9 . . 1 . . . . . . . . 4104 1 133 . 1 1 8 8 DA H8 H 1 8.28 . . 1 . . . . . . . . 4104 1 134 . 1 1 9 9 DT C5' C 13 65.7 . . 1 . . . . . . . . 4104 1 135 . 1 1 9 9 DT H5' H 1 4.32 . . 2 . . . . . . . . 4104 1 136 . 1 1 9 9 DT H5'' H 1 4.07 . . 2 . . . . . . . . 4104 1 137 . 1 1 9 9 DT C4' C 13 84.6 . . 1 . . . . . . . . 4104 1 138 . 1 1 9 9 DT H4' H 1 4.00 . . 1 . . . . . . . . 4104 1 139 . 1 1 9 9 DT H3' H 1 4.66 . . 1 . . . . . . . . 4104 1 140 . 1 1 9 9 DT C2' C 13 38.9 . . 1 . . . . . . . . 4104 1 141 . 1 1 9 9 DT H2' H 1 1.68 . . 1 . . . . . . . . 4104 1 142 . 1 1 9 9 DT H2'' H 1 2.35 . . 1 . . . . . . . . 4104 1 143 . 1 1 9 9 DT C1' C 13 85.0 . . 1 . . . . . . . . 4104 1 144 . 1 1 9 9 DT H1' H 1 5.54 . . 1 . . . . . . . . 4104 1 145 . 1 1 9 9 DT N3 N 15 159.1 . . 1 . . . . . . . . 4104 1 146 . 1 1 9 9 DT H3 H 1 13.44 . . 1 . . . . . . . . 4104 1 147 . 1 1 9 9 DT C7 C 13 14.3 . . 1 . . . . . . . . 4104 1 148 . 1 1 9 9 DT C6 C 13 137.6 . . 1 . . . . . . . . 4104 1 149 . 1 1 9 9 DT H6 H 1 6.86 . . 1 . . . . . . . . 4104 1 150 . 1 1 10 10 DT C5' C 13 67.9 . . 1 . . . . . . . . 4104 1 151 . 1 1 10 10 DT H5' H 1 4.01 . . 2 . . . . . . . . 4104 1 152 . 1 1 10 10 DT H5'' H 1 3.85 . . 2 . . . . . . . . 4104 1 153 . 1 1 10 10 DT C4' C 13 86.3 . . 1 . . . . . . . . 4104 1 154 . 1 1 10 10 DT H4' H 1 4.02 . . 1 . . . . . . . . 4104 1 155 . 1 1 10 10 DT H3' H 1 4.82 . . 1 . . . . . . . . 4104 1 156 . 1 1 10 10 DT C2' C 13 38.6 . . 1 . . . . . . . . 4104 1 157 . 1 1 10 10 DT H2' H 1 1.94 . . 1 . . . . . . . . 4104 1 158 . 1 1 10 10 DT H2'' H 1 2.23 . . 1 . . . . . . . . 4104 1 159 . 1 1 10 10 DT C1' C 13 85.3 . . 1 . . . . . . . . 4104 1 160 . 1 1 10 10 DT H1' H 1 5.68 . . 1 . . . . . . . . 4104 1 161 . 1 1 10 10 DT N3 N 15 158.5 . . 1 . . . . . . . . 4104 1 162 . 1 1 10 10 DT H3 H 1 13.41 . . 1 . . . . . . . . 4104 1 163 . 1 1 10 10 DT C7 C 13 14.7 . . 1 . . . . . . . . 4104 1 164 . 1 1 10 10 DT C6 C 13 139.7 . . 1 . . . . . . . . 4104 1 165 . 1 1 10 10 DT H6 H 1 7.13 . . 1 . . . . . . . . 4104 1 166 . 1 1 11 11 DA C5' C 13 68.4 . . 1 . . . . . . . . 4104 1 167 . 1 1 11 11 DA H5'' H 1 3.86 . . 2 . . . . . . . . 4104 1 168 . 1 1 11 11 DA C4' C 13 87.6 . . 1 . . . . . . . . 4104 1 169 . 1 1 11 11 DA H4' H 1 4.10 . . 1 . . . . . . . . 4104 1 170 . 1 1 11 11 DA C3' C 13 78.4 . . 1 . . . . . . . . 4104 1 171 . 1 1 11 11 DA H3' H 1 4.96 . . 1 . . . . . . . . 4104 1 172 . 1 1 11 11 DA C2' C 13 40.1 . . 1 . . . . . . . . 4104 1 173 . 1 1 11 11 DA H2' H 1 2.65 . . 2 . . . . . . . . 4104 1 174 . 1 1 11 11 DA H2'' H 1 2.70 . . 2 . . . . . . . . 4104 1 175 . 1 1 11 11 DA C1' C 13 84.6 . . 1 . . . . . . . . 4104 1 176 . 1 1 11 11 DA H1' H 1 5.49 . . 1 . . . . . . . . 4104 1 177 . 1 1 11 11 DA C2 C 13 153.2 . . 1 . . . . . . . . 4104 1 178 . 1 1 11 11 DA H2 H 1 6.86 . . 1 . . . . . . . . 4104 1 179 . 1 1 11 11 DA N6 N 15 79.9 . . 1 . . . . . . . . 4104 1 180 . 1 1 11 11 DA H61 H 1 7.18 . . 1 . . . . . . . . 4104 1 181 . 1 1 11 11 DA H62 H 1 6.61 . . 1 . . . . . . . . 4104 1 182 . 1 1 11 11 DA C8 C 13 141.9 . . 1 . . . . . . . . 4104 1 183 . 1 1 11 11 DA H8 H 1 8.28 . . 1 . . . . . . . . 4104 1 184 . 1 1 12 12 DG C5' C 13 69.2 . . 1 . . . . . . . . 4104 1 185 . 1 1 12 12 DG H5' H 1 4.24 . . 2 . . . . . . . . 4104 1 186 . 1 1 12 12 DG H5'' H 1 3.88 . . 2 . . . . . . . . 4104 1 187 . 1 1 12 12 DG C4' C 13 87.6 . . 1 . . . . . . . . 4104 1 188 . 1 1 12 12 DG H4' H 1 4.11 . . 1 . . . . . . . . 4104 1 189 . 1 1 12 12 DG C3' C 13 79.4 . . 1 . . . . . . . . 4104 1 190 . 1 1 12 12 DG H3' H 1 4.97 . . 1 . . . . . . . . 4104 1 191 . 1 1 12 12 DG C2' C 13 40.0 . . 1 . . . . . . . . 4104 1 192 . 1 1 12 12 DG H2' H 1 2.63 . . 2 . . . . . . . . 4104 1 193 . 1 1 12 12 DG H2'' H 1 2.68 . . 2 . . . . . . . . 4104 1 194 . 1 1 12 12 DG C1' C 13 84.0 . . 1 . . . . . . . . 4104 1 195 . 1 1 12 12 DG H1' H 1 5.41 . . 1 . . . . . . . . 4104 1 196 . 1 1 12 12 DG N1 N 15 146.7 . . 1 . . . . . . . . 4104 1 197 . 1 1 12 12 DG H1 H 1 12.39 . . 1 . . . . . . . . 4104 1 198 . 1 1 12 12 DG C8 C 13 137.5 . . 1 . . . . . . . . 4104 1 199 . 1 1 12 12 DG H8 H 1 7.78 . . 1 . . . . . . . . 4104 1 200 . 1 1 13 13 DA C5' C 13 68.7 . . 1 . . . . . . . . 4104 1 201 . 1 1 13 13 DA H5' H 1 4.21 . . 2 . . . . . . . . 4104 1 202 . 1 1 13 13 DA H5'' H 1 3.96 . . 2 . . . . . . . . 4104 1 203 . 1 1 13 13 DA C4' C 13 87.5 . . 1 . . . . . . . . 4104 1 204 . 1 1 13 13 DA H4' H 1 4.29 . . 1 . . . . . . . . 4104 1 205 . 1 1 13 13 DA C3' C 13 79.6 . . 1 . . . . . . . . 4104 1 206 . 1 1 13 13 DA H3' H 1 4.99 . . 1 . . . . . . . . 4104 1 207 . 1 1 13 13 DA C2' C 13 40.6 . . 1 . . . . . . . . 4104 1 208 . 1 1 13 13 DA H2' H 1 2.59 . . 1 . . . . . . . . 4104 1 209 . 1 1 13 13 DA H2'' H 1 2.81 . . 1 . . . . . . . . 4104 1 210 . 1 1 13 13 DA C1' C 13 85.0 . . 1 . . . . . . . . 4104 1 211 . 1 1 13 13 DA H1' H 1 5.99 . . 1 . . . . . . . . 4104 1 212 . 1 1 13 13 DA C2 C 13 154.8 . . 1 . . . . . . . . 4104 1 213 . 1 1 13 13 DA H2 H 1 7.73 . . 1 . . . . . . . . 4104 1 214 . 1 1 13 13 DA C8 C 13 140.9 . . 1 . . . . . . . . 4104 1 215 . 1 1 13 13 DA H8 H 1 8.00 . . 1 . . . . . . . . 4104 1 216 . 1 1 14 14 DG C5' C 13 67.5 . . 1 . . . . . . . . 4104 1 217 . 1 1 14 14 DG H5' H 1 4.20 . . 2 . . . . . . . . 4104 1 218 . 1 1 14 14 DG H5'' H 1 4.09 . . 2 . . . . . . . . 4104 1 219 . 1 1 14 14 DG C4' C 13 87.6 . . 1 . . . . . . . . 4104 1 220 . 1 1 14 14 DG H4' H 1 4.09 . . 1 . . . . . . . . 4104 1 221 . 1 1 14 14 DG C3' C 13 72.3 . . 1 . . . . . . . . 4104 1 222 . 1 1 14 14 DG H3' H 1 4.56 . . 1 . . . . . . . . 4104 1 223 . 1 1 14 14 DG C2' C 13 42.7 . . 1 . . . . . . . . 4104 1 224 . 1 1 14 14 DG H2' H 1 2.34 . . 1 . . . . . . . . 4104 1 225 . 1 1 14 14 DG H2'' H 1 2.20 . . 1 . . . . . . . . 4104 1 226 . 1 1 14 14 DG C1' C 13 84.5 . . 1 . . . . . . . . 4104 1 227 . 1 1 14 14 DG H1' H 1 5.95 . . 1 . . . . . . . . 4104 1 228 . 1 1 14 14 DG C8 C 13 138.3 . . 1 . . . . . . . . 4104 1 229 . 1 1 14 14 DG H8 H 1 7.58 . . 1 . . . . . . . . 4104 1 230 . 2 2 1 1 DC C5' C 13 63.1 . . 1 . . . . . . . . 4104 2 231 . 2 2 1 1 DC H5' H 1 3.81 . . 2 . . . . . . . . 4104 2 232 . 2 2 1 1 DC H5'' H 1 3.73 . . 2 . . . . . . . . 4104 2 233 . 2 2 1 1 DC C4' C 13 88.1 . . 1 . . . . . . . . 4104 2 234 . 2 2 1 1 DC H4' H 1 4.04 . . 1 . . . . . . . . 4104 2 235 . 2 2 1 1 DC H3' H 1 4.59 . . 1 . . . . . . . . 4104 2 236 . 2 2 1 1 DC C2' C 13 40.9 . . 1 . . . . . . . . 4104 2 237 . 2 2 1 1 DC H2' H 1 2.13 . . 1 . . . . . . . . 4104 2 238 . 2 2 1 1 DC H2'' H 1 2.5 . . 1 . . . . . . . . 4104 2 239 . 2 2 1 1 DC C1' C 13 88.5 . . 1 . . . . . . . . 4104 2 240 . 2 2 1 1 DC H1' H 1 5.83 . . 1 . . . . . . . . 4104 2 241 . 2 2 1 1 DC C5 C 13 98.9 . . 1 . . . . . . . . 4104 2 242 . 2 2 1 1 DC H5 H 1 5.9 . . 1 . . . . . . . . 4104 2 243 . 2 2 1 1 DC C6 C 13 143.3 . . 1 . . . . . . . . 4104 2 244 . 2 2 1 1 DC H6 H 1 7.81 . . 1 . . . . . . . . 4104 2 245 . 2 2 2 2 DT C5' C 13 67.9 . . 1 . . . . . . . . 4104 2 246 . 2 2 2 2 DT H5' H 1 4.03 . . 2 . . . . . . . . 4104 2 247 . 2 2 2 2 DT H5'' H 1 4.00 . . 2 . . . . . . . . 4104 2 248 . 2 2 2 2 DT C4' C 13 86.8 . . 1 . . . . . . . . 4104 2 249 . 2 2 2 2 DT H4' H 1 4.17 . . 1 . . . . . . . . 4104 2 250 . 2 2 2 2 DT H3' H 1 4.81 . . 1 . . . . . . . . 4104 2 251 . 2 2 2 2 DT C2' C 13 39.1 . . 1 . . . . . . . . 4104 2 252 . 2 2 2 2 DT H2' H 1 2.13 . . 1 . . . . . . . . 4104 2 253 . 2 2 2 2 DT H2'' H 1 2.48 . . 1 . . . . . . . . 4104 2 254 . 2 2 2 2 DT C1' C 13 86.4 . . 1 . . . . . . . . 4104 2 255 . 2 2 2 2 DT H1' H 1 6.06 . . 1 . . . . . . . . 4104 2 256 . 2 2 2 2 DT N3 N 15 158.7 . . 1 . . . . . . . . 4104 2 257 . 2 2 2 2 DT H3 H 1 13.66 . . 1 . . . . . . . . 4104 2 258 . 2 2 2 2 DT C7 C 13 14.5 . . 1 . . . . . . . . 4104 2 259 . 2 2 2 2 DT C6 C 13 139.7 . . 1 . . . . . . . . 4104 2 260 . 2 2 2 2 DT H6 H 1 7.52 . . 1 . . . . . . . . 4104 2 261 . 2 2 3 3 DC C5' C 13 68.4 . . 1 . . . . . . . . 4104 2 262 . 2 2 3 3 DC H5' H 1 3.97 . . 2 . . . . . . . . 4104 2 263 . 2 2 3 3 DC H5'' H 1 3.88 . . 2 . . . . . . . . 4104 2 264 . 2 2 3 3 DC C4' C 13 85.7 . . 1 . . . . . . . . 4104 2 265 . 2 2 3 3 DC H4' H 1 4.09 . . 1 . . . . . . . . 4104 2 266 . 2 2 3 3 DC C3' C 13 78.4 . . 1 . . . . . . . . 4104 2 267 . 2 2 3 3 DC H3' H 1 4.72 . . 1 . . . . . . . . 4104 2 268 . 2 2 3 3 DC C2' C 13 38.6 . . 1 . . . . . . . . 4104 2 269 . 2 2 3 3 DC H2' H 1 1.9 . . 1 . . . . . . . . 4104 2 270 . 2 2 3 3 DC H2'' H 1 2.26 . . 1 . . . . . . . . 4104 2 271 . 2 2 3 3 DC C1' C 13 85.9 . . 1 . . . . . . . . 4104 2 272 . 2 2 3 3 DC H1' H 1 5.91 . . 1 . . . . . . . . 4104 2 273 . 2 2 3 3 DC N4 N 15 98.00 . . 1 . . . . . . . . 4104 2 274 . 2 2 3 3 DC H41 H 1 8.22 . . 1 . . . . . . . . 4104 2 275 . 2 2 3 3 DC H42 H 1 6.98 . . 1 . . . . . . . . 4104 2 276 . 2 2 3 3 DC C5 C 13 99.00 . . 1 . . . . . . . . 4104 2 277 . 2 2 3 3 DC H5 H 1 5.56 . . 1 . . . . . . . . 4104 2 278 . 2 2 3 3 DC C6 C 13 143.2 . . 1 . . . . . . . . 4104 2 279 . 2 2 3 3 DC H6 H 1 7.48 . . 1 . . . . . . . . 4104 2 280 . 2 2 4 4 DT C2' C 13 37.7 . . 1 . . . . . . . . 4104 2 281 . 2 2 4 4 DT H2' H 1 2.1 . . 2 . . . . . . . . 4104 2 282 . 2 2 4 4 DT H2'' H 1 2.22 . . 2 . . . . . . . . 4104 2 283 . 2 2 4 4 DT H1' H 1 4.69 . . 1 . . . . . . . . 4104 2 284 . 2 2 4 4 DT N3 N 15 160.4 . . 1 . . . . . . . . 4104 2 285 . 2 2 4 4 DT H3 H 1 13.92 . . 1 . . . . . . . . 4104 2 286 . 2 2 4 4 DT C7 C 13 14.4 . . 1 . . . . . . . . 4104 2 287 . 2 2 4 4 DT C6 C 13 140.00 . . 1 . . . . . . . . 4104 2 288 . 2 2 4 4 DT H6 H 1 7.47 . . 1 . . . . . . . . 4104 2 289 . 2 2 5 5 DA C4' C 13 87.3 . . 1 . . . . . . . . 4104 2 290 . 2 2 5 5 DA H4' H 1 4.34 . . 1 . . . . . . . . 4104 2 291 . 2 2 5 5 DA C3' C 13 79.2 . . 1 . . . . . . . . 4104 2 292 . 2 2 5 5 DA H3' H 1 4.89 . . 1 . . . . . . . . 4104 2 293 . 2 2 5 5 DA C2' C 13 39.9 . . 1 . . . . . . . . 4104 2 294 . 2 2 5 5 DA H2' H 1 2.93 . . 1 . . . . . . . . 4104 2 295 . 2 2 5 5 DA H2'' H 1 3.03 . . 1 . . . . . . . . 4104 2 296 . 2 2 5 5 DA C1' C 13 85.4 . . 1 . . . . . . . . 4104 2 297 . 2 2 5 5 DA H1' H 1 6.14 . . 1 . . . . . . . . 4104 2 298 . 2 2 5 5 DA C2 C 13 153.1 . . 1 . . . . . . . . 4104 2 299 . 2 2 5 5 DA H2 H 1 7.07 . . 1 . . . . . . . . 4104 2 300 . 2 2 5 5 DA N6 N 15 77.4 . . 1 . . . . . . . . 4104 2 301 . 2 2 5 5 DA H61 H 1 6.82 . . 1 . . . . . . . . 4104 2 302 . 2 2 5 5 DA H62 H 1 6.19 . . 1 . . . . . . . . 4104 2 303 . 2 2 5 5 DA C8 C 13 142.7 . . 1 . . . . . . . . 4104 2 304 . 2 2 5 5 DA H8 H 1 8.15 . . 1 . . . . . . . . 4104 2 305 . 2 2 6 6 DA C4' C 13 86.3 . . 1 . . . . . . . . 4104 2 306 . 2 2 6 6 DA H4' H 1 4.25 . . 1 . . . . . . . . 4104 2 307 . 2 2 6 6 DA C3' C 13 76.1 . . 1 . . . . . . . . 4104 2 308 . 2 2 6 6 DA H3' H 1 5.02 . . 1 . . . . . . . . 4104 2 309 . 2 2 6 6 DA C2' C 13 42.3 . . 1 . . . . . . . . 4104 2 310 . 2 2 6 6 DA H2' H 1 2.31 . . 1 . . . . . . . . 4104 2 311 . 2 2 6 6 DA H2'' H 1 2.75 . . 1 . . . . . . . . 4104 2 312 . 2 2 6 6 DA C1' C 13 82.9 . . 1 . . . . . . . . 4104 2 313 . 2 2 6 6 DA H1' H 1 5.81 . . 1 . . . . . . . . 4104 2 314 . 2 2 6 6 DA C2 C 13 154.4 . . 1 . . . . . . . . 4104 2 315 . 2 2 6 6 DA H2 H 1 7.45 . . 1 . . . . . . . . 4104 2 316 . 2 2 6 6 DA N6 N 15 81.5 . . 1 . . . . . . . . 4104 2 317 . 2 2 6 6 DA H61 H 1 6.95 . . 1 . . . . . . . . 4104 2 318 . 2 2 6 6 DA H62 H 1 6.83 . . 1 . . . . . . . . 4104 2 319 . 2 2 6 6 DA C8 C 13 139.00 . . 1 . . . . . . . . 4104 2 320 . 2 2 6 6 DA H8 H 1 7.44 . . 1 . . . . . . . . 4104 2 321 . 2 2 7 7 DT C5' C 13 68.4 . . 1 . . . . . . . . 4104 2 322 . 2 2 7 7 DT H5' H 1 3.95 . . 2 . . . . . . . . 4104 2 323 . 2 2 7 7 DT H5'' H 1 3.89 . . 2 . . . . . . . . 4104 2 324 . 2 2 7 7 DT C4' C 13 85.9 . . 1 . . . . . . . . 4104 2 325 . 2 2 7 7 DT H4' H 1 3.99 . . 1 . . . . . . . . 4104 2 326 . 2 2 7 7 DT C3' C 13 76.5 . . 1 . . . . . . . . 4104 2 327 . 2 2 7 7 DT H3' H 1 4.7 . . 1 . . . . . . . . 4104 2 328 . 2 2 7 7 DT C2' C 13 40.5 . . 1 . . . . . . . . 4104 2 329 . 2 2 7 7 DT H2' H 1 1.65 . . 1 . . . . . . . . 4104 2 330 . 2 2 7 7 DT H2'' H 1 2.28 . . 1 . . . . . . . . 4104 2 331 . 2 2 7 7 DT C1' C 13 85.8 . . 1 . . . . . . . . 4104 2 332 . 2 2 7 7 DT H1' H 1 5.72 . . 1 . . . . . . . . 4104 2 333 . 2 2 7 7 DT N3 N 15 158.4 . . 1 . . . . . . . . 4104 2 334 . 2 2 7 7 DT H3 H 1 13.22 . . 1 . . . . . . . . 4104 2 335 . 2 2 7 7 DT C7 C 13 14.8 . . 1 . . . . . . . . 4104 2 336 . 2 2 7 7 DT C6 C 13 137.2 . . 1 . . . . . . . . 4104 2 337 . 2 2 7 7 DT H6 H 1 6.68 . . 1 . . . . . . . . 4104 2 338 . 2 2 8 8 DG C5' C 13 68.8 . . 1 . . . . . . . . 4104 2 339 . 2 2 8 8 DG H5' H 1 4.13 . . 2 . . . . . . . . 4104 2 340 . 2 2 8 8 DG H5'' H 1 4.09 . . 2 . . . . . . . . 4104 2 341 . 2 2 8 8 DG C4' C 13 87.2 . . 1 . . . . . . . . 4104 2 342 . 2 2 8 8 DG H4' H 1 4.25 . . 1 . . . . . . . . 4104 2 343 . 2 2 8 8 DG C3' C 13 79.3 . . 1 . . . . . . . . 4104 2 344 . 2 2 8 8 DG H3' H 1 4.91 . . 1 . . . . . . . . 4104 2 345 . 2 2 8 8 DG C2' C 13 40.3 . . 1 . . . . . . . . 4104 2 346 . 2 2 8 8 DG H2' H 1 2.55 . . 1 . . . . . . . . 4104 2 347 . 2 2 8 8 DG H2'' H 1 2.61 . . 1 . . . . . . . . 4104 2 348 . 2 2 8 8 DG C1' C 13 84.1 . . 1 . . . . . . . . 4104 2 349 . 2 2 8 8 DG H1' H 1 5.56 . . 1 . . . . . . . . 4104 2 350 . 2 2 8 8 DG N2 N 15 75.5 . . 1 . . . . . . . . 4104 2 351 . 2 2 8 8 DG N1 N 15 147.00 . . 1 . . . . . . . . 4104 2 352 . 2 2 8 8 DG H1 H 1 12.46 . . 1 . . . . . . . . 4104 2 353 . 2 2 8 8 DG C8 C 13 138.2 . . 1 . . . . . . . . 4104 2 354 . 2 2 8 8 DG H8 H 1 7.72 . . 1 . . . . . . . . 4104 2 355 . 2 2 9 9 DG C5' C 13 68.8 . . 1 . . . . . . . . 4104 2 356 . 2 2 9 9 DG H5' H 1 4.14 . . 2 . . . . . . . . 4104 2 357 . 2 2 9 9 DG H5'' H 1 4.08 . . 2 . . . . . . . . 4104 2 358 . 2 2 9 9 DG C4' C 13 87.2 . . 1 . . . . . . . . 4104 2 359 . 2 2 9 9 DG H4' H 1 4.32 . . 1 . . . . . . . . 4104 2 360 . 2 2 9 9 DG C3' C 13 79.3 . . 1 . . . . . . . . 4104 2 361 . 2 2 9 9 DG H3' H 1 4.88 . . 1 . . . . . . . . 4104 2 362 . 2 2 9 9 DG C2' C 13 41.00 . . 1 . . . . . . . . 4104 2 363 . 2 2 9 9 DG H2' H 1 2.5 . . 1 . . . . . . . . 4104 2 364 . 2 2 9 9 DG H2'' H 1 2.65 . . 1 . . . . . . . . 4104 2 365 . 2 2 9 9 DG C1' C 13 84.6 . . 1 . . . . . . . . 4104 2 366 . 2 2 9 9 DG H1' H 1 5.84 . . 1 . . . . . . . . 4104 2 367 . 2 2 9 9 DG N2 N 15 75.3 . . 1 . . . . . . . . 4104 2 368 . 2 2 9 9 DG H21 H 1 6.72 . . 2 . . . . . . . . 4104 2 369 . 2 2 9 9 DG N1 N 15 147.00 . . 1 . . . . . . . . 4104 2 370 . 2 2 9 9 DG H1 H 1 12.65 . . 1 . . . . . . . . 4104 2 371 . 2 2 9 9 DG C8 C 13 137.2 . . 1 . . . . . . . . 4104 2 372 . 2 2 9 9 DG H8 H 1 7.61 . . 1 . . . . . . . . 4104 2 373 . 2 2 10 10 DC C5' C 13 67.9 . . 1 . . . . . . . . 4104 2 374 . 2 2 10 10 DC H5' H 1 4.1 . . 2 . . . . . . . . 4104 2 375 . 2 2 10 10 DC H5'' H 1 4.03 . . 2 . . . . . . . . 4104 2 376 . 2 2 10 10 DC C4' C 13 85.9 . . 1 . . . . . . . . 4104 2 377 . 2 2 10 10 DC H4' H 1 4.18 . . 1 . . . . . . . . 4104 2 378 . 2 2 10 10 DC H3' H 1 4.63 . . 1 . . . . . . . . 4104 2 379 . 2 2 10 10 DC C2' C 13 40.3 . . 1 . . . . . . . . 4104 2 380 . 2 2 10 10 DC H2' H 1 2.06 . . 1 . . . . . . . . 4104 2 381 . 2 2 10 10 DC H2'' H 1 2.48 . . 1 . . . . . . . . 4104 2 382 . 2 2 10 10 DC C1' C 13 86.8 . . 1 . . . . . . . . 4104 2 383 . 2 2 10 10 DC H1' H 1 5.87 . . 1 . . . . . . . . 4104 2 384 . 2 2 10 10 DC N4 N 15 97.00 . . 1 . . . . . . . . 4104 2 385 . 2 2 10 10 DC H41 H 1 7.96 . . 1 . . . . . . . . 4104 2 386 . 2 2 10 10 DC H42 H 1 6.34 . . 1 . . . . . . . . 4104 2 387 . 2 2 10 10 DC C5 C 13 97.7 . . 1 . . . . . . . . 4104 2 388 . 2 2 10 10 DC H5 H 1 5.21 . . 1 . . . . . . . . 4104 2 389 . 2 2 10 10 DC C6 C 13 142.2 . . 1 . . . . . . . . 4104 2 390 . 2 2 10 10 DC H6 H 1 7.3 . . 1 . . . . . . . . 4104 2 391 . 2 2 11 11 DT C5' C 13 67.5 . . 1 . . . . . . . . 4104 2 392 . 2 2 11 11 DT H5' H 1 4.07 . . 2 . . . . . . . . 4104 2 393 . 2 2 11 11 DT H5'' H 1 4.07 . . 2 . . . . . . . . 4104 2 394 . 2 2 11 11 DT C4' C 13 86.3 . . 1 . . . . . . . . 4104 2 395 . 2 2 11 11 DT H4' H 1 4.16 . . 1 . . . . . . . . 4104 2 396 . 2 2 11 11 DT H3' H 1 4.8 . . 1 . . . . . . . . 4104 2 397 . 2 2 11 11 DT C2' C 13 39.4 . . 1 . . . . . . . . 4104 2 398 . 2 2 11 11 DT H2' H 1 2.1 . . 1 . . . . . . . . 4104 2 399 . 2 2 11 11 DT H2'' H 1 2.55 . . 1 . . . . . . . . 4104 2 400 . 2 2 11 11 DT C1' C 13 86.3 . . 1 . . . . . . . . 4104 2 401 . 2 2 11 11 DT H1' H 1 6.00 . . 1 . . . . . . . . 4104 2 402 . 2 2 11 11 DT N3 N 15 160.4 . . 1 . . . . . . . . 4104 2 403 . 2 2 11 11 DT H3 H 1 13.86 . . 1 . . . . . . . . 4104 2 404 . 2 2 11 11 DT C7 C 13 14.6 . . 1 . . . . . . . . 4104 2 405 . 2 2 11 11 DT C6 C 13 139.5 . . 1 . . . . . . . . 4104 2 406 . 2 2 11 11 DT H6 H 1 7.36 . . 1 . . . . . . . . 4104 2 407 . 2 2 12 12 DT C5' C 13 66.6 . . 1 . . . . . . . . 4104 2 408 . 2 2 12 12 DT H5' H 1 4.18 . . 2 . . . . . . . . 4104 2 409 . 2 2 12 12 DT H5'' H 1 4.17 . . 2 . . . . . . . . 4104 2 410 . 2 2 12 12 DT C4' C 13 85.9 . . 1 . . . . . . . . 4104 2 411 . 2 2 12 12 DT H4' H 1 4.15 . . 1 . . . . . . . . 4104 2 412 . 2 2 12 12 DT C3' C 13 78.00 . . 1 . . . . . . . . 4104 2 413 . 2 2 12 12 DT H3' H 1 4.84 . . 1 . . . . . . . . 4104 2 414 . 2 2 12 12 DT C2' C 13 39.2 . . 1 . . . . . . . . 4104 2 415 . 2 2 12 12 DT H2' H 1 2.17 . . 1 . . . . . . . . 4104 2 416 . 2 2 12 12 DT H2'' H 1 2.57 . . 1 . . . . . . . . 4104 2 417 . 2 2 12 12 DT C1' C 13 85.4 . . 1 . . . . . . . . 4104 2 418 . 2 2 12 12 DT H1' H 1 6.13 . . 1 . . . . . . . . 4104 2 419 . 2 2 12 12 DT N3 N 15 160.4 . . 1 . . . . . . . . 4104 2 420 . 2 2 12 12 DT H3 H 1 13.73 . . 1 . . . . . . . . 4104 2 421 . 2 2 12 12 DT C7 C 13 14.5 . . 1 . . . . . . . . 4104 2 422 . 2 2 12 12 DT C6 C 13 140.00 . . 1 . . . . . . . . 4104 2 423 . 2 2 12 12 DT H6 H 1 7.43 . . 1 . . . . . . . . 4104 2 424 . 2 2 13 13 DT C5' C 13 66.6 . . 1 . . . . . . . . 4104 2 425 . 2 2 13 13 DT H5' H 1 4.14 . . 2 . . . . . . . . 4104 2 426 . 2 2 13 13 DT H5'' H 1 4.03 . . 2 . . . . . . . . 4104 2 427 . 2 2 13 13 DT C4' C 13 85.9 . . 1 . . . . . . . . 4104 2 428 . 2 2 13 13 DT H4' H 1 4.13 . . 1 . . . . . . . . 4104 2 429 . 2 2 13 13 DT C3' C 13 77.00 . . 1 . . . . . . . . 4104 2 430 . 2 2 13 13 DT H3' H 1 4.85 . . 1 . . . . . . . . 4104 2 431 . 2 2 13 13 DT C2' C 13 39.4 . . 1 . . . . . . . . 4104 2 432 . 2 2 13 13 DT H2' H 1 2.16 . . 1 . . . . . . . . 4104 2 433 . 2 2 13 13 DT H2'' H 1 2.47 . . 1 . . . . . . . . 4104 2 434 . 2 2 13 13 DT C1' C 13 85.4 . . 1 . . . . . . . . 4104 2 435 . 2 2 13 13 DT H1' H 1 6.14 . . 1 . . . . . . . . 4104 2 436 . 2 2 13 13 DT N3 N 15 160.5 . . 1 . . . . . . . . 4104 2 437 . 2 2 13 13 DT H3 H 1 13.77 . . 1 . . . . . . . . 4104 2 438 . 2 2 13 13 DT C7 C 13 14.4 . . 1 . . . . . . . . 4104 2 439 . 2 2 13 13 DT C6 C 13 140.1 . . 1 . . . . . . . . 4104 2 440 . 2 2 13 13 DT H6 H 1 7.4 . . 1 . . . . . . . . 4104 2 441 . 2 2 14 14 DC C5' C 13 67.00 . . 1 . . . . . . . . 4104 2 442 . 2 2 14 14 DC H5' H 1 4.14 . . 2 . . . . . . . . 4104 2 443 . 2 2 14 14 DC H5'' H 1 4.01 . . 2 . . . . . . . . 4104 2 444 . 2 2 14 14 DC C4' C 13 87.2 . . 1 . . . . . . . . 4104 2 445 . 2 2 14 14 DC H4' H 1 3.98 . . 1 . . . . . . . . 4104 2 446 . 2 2 14 14 DC C3' C 13 72.1 . . 1 . . . . . . . . 4104 2 447 . 2 2 14 14 DC H3' H 1 4.5 . . 1 . . . . . . . . 4104 2 448 . 2 2 14 14 DC C2' C 13 41.2 . . 1 . . . . . . . . 4104 2 449 . 2 2 14 14 DC H2' H 1 2.2 . . 2 . . . . . . . . 4104 2 450 . 2 2 14 14 DC H2'' H 1 2.2 . . 2 . . . . . . . . 4104 2 451 . 2 2 14 14 DC C1' C 13 87.2 . . 1 . . . . . . . . 4104 2 452 . 2 2 14 14 DC H1' H 1 6.2 . . 1 . . . . . . . . 4104 2 453 . 2 2 14 14 DC C5 C 13 98.9 . . 1 . . . . . . . . 4104 2 454 . 2 2 14 14 DC H5 H 1 5.85 . . 1 . . . . . . . . 4104 2 455 . 2 2 14 14 DC C6 C 13 144.7 . . 1 . . . . . . . . 4104 2 456 . 2 2 14 14 DC H6 H 1 7.63 . . 1 . . . . . . . . 4104 2 stop_ save_