data_25407 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the DNA complex of the C-Terminal domain of MvaT ; _BMRB_accession_number 25407 _BMRB_flat_file_name bmr25407.str _Entry_type original _Submission_date 2014-12-30 _Accession_date 2014-12-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ding Pengfei . . 2 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 492 "13C chemical shifts" 163 "15N chemical shifts" 51 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-29 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25405 'C-terminal domain of MvaT' stop_ _Original_release_date 2015-06-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Novel AT-Rich DNA Recognition Mechanism for Bacterial Xenogeneic Silencer MvaT ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26068099 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ding Pengfei . . 2 McFarland Kirsty A. . 3 Jin Shujuan . . 4 Tong Grace . . 5 Duan Bo . . 6 Yang Ally . . 7 Hughes Timothy R. . 8 Liu Jun . . 9 Dove Simon L. . 10 Navarre William W. . 11 Xia Bin . . stop_ _Journal_abbreviation 'Plos Pathog.' _Journal_volume 11 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1004967 _Page_last e1004967 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA complex of the C-Terminal domain of MvaT' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MvaT $MvaT "DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')_1" $DNA_(5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3') "DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')_2" $DNA_(5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3') stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MvaT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MvaT _Molecular_mass 5352.173 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; MKRARKVKQYKNPHTGEVIE TKGGNHKTLKEWKAKWGPEA VESWATLLGHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 76 MET 2 77 LYS 3 78 ARG 4 79 ALA 5 80 ARG 6 81 LYS 7 82 VAL 8 83 LYS 9 84 GLN 10 85 TYR 11 86 LYS 12 87 ASN 13 88 PRO 14 89 HIS 15 90 THR 16 91 GLY 17 92 GLU 18 93 VAL 19 94 ILE 20 95 GLU 21 96 THR 22 97 LYS 23 98 GLY 24 99 GLY 25 100 ASN 26 101 HIS 27 102 LYS 28 103 THR 29 104 LEU 30 105 LYS 31 106 GLU 32 107 TRP 33 108 LYS 34 109 ALA 35 110 LYS 36 111 TRP 37 112 GLY 38 113 PRO 39 114 GLU 40 115 ALA 41 116 VAL 42 117 GLU 43 118 SER 44 119 TRP 45 120 ALA 46 121 THR 47 122 LEU 48 123 LEU 49 124 GLY 50 125 HIS 51 126 HIS 52 127 HIS 53 128 HIS 54 129 HIS 55 130 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25405 MvaT 100.00 55 100.00 100.00 7.56e-30 PDB 2MXE "Solution Structure Of The C-terminal Domain Of Mvat" 100.00 55 100.00 100.00 7.56e-30 PDB 2MXF "Structure Of The Dna Complex Of The C-terminal Domain Of Mvat" 100.00 55 100.00 100.00 7.56e-30 DBJ BAK88160 "transcriptional regulator [Pseudomonas aeruginosa NCGM2.S1]" 87.27 124 100.00 100.00 1.75e-25 DBJ BAP21250 "transcriptional regulator [Pseudomonas aeruginosa]" 87.27 124 100.00 100.00 1.75e-25 DBJ BAP52811 "transcriptional regulator [Pseudomonas aeruginosa]" 87.27 124 100.00 100.00 1.75e-25 DBJ BAQ41953 "transcriptional regulator [Pseudomonas aeruginosa]" 87.27 124 100.00 100.00 1.75e-25 DBJ BAR69621 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa]" 87.27 124 100.00 100.00 1.75e-25 EMBL CAW29447 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa LESB58]" 87.27 124 100.00 100.00 1.75e-25 EMBL CCQ87551 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa 18A]" 87.27 124 100.00 100.00 1.75e-25 EMBL CDH72901 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa MH38]" 87.27 124 100.00 100.00 1.75e-25 EMBL CDH79198 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa MH27]" 87.27 124 100.00 100.00 1.75e-25 EMBL CDI92830 "transcriptional regulator MvaT [Pseudomonas aeruginosa PA38182]" 67.27 158 97.30 97.30 1.84e-16 GB AAG07703 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa PAO1]" 87.27 124 100.00 100.00 1.75e-25 GB AAP33788 "MvaT [Pseudomonas aeruginosa PAO1]" 87.27 124 100.00 100.00 1.75e-25 GB ABJ13585 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa UCBPP-PA14]" 87.27 124 100.00 100.00 1.75e-25 GB ABR84836 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa PA7]" 87.27 125 100.00 100.00 1.97e-25 GB AEO76886 "transcriptional regulator MvaT, P16 subunit [Pseudomonas aeruginosa M18]" 87.27 124 100.00 100.00 1.75e-25 REF NP_253005 "transcriptional regulator MvaT [Pseudomonas aeruginosa PAO1]" 87.27 124 100.00 100.00 1.75e-25 REF WP_003093888 "MULTISPECIES: transcriptional regulator MvaT [Pseudomonas]" 87.27 124 100.00 100.00 1.75e-25 REF WP_003125172 "H-NS histone [Pseudomonas aeruginosa]" 87.27 124 97.92 97.92 4.49e-24 REF WP_012077126 "H-NS histone [Pseudomonas aeruginosa]" 87.27 125 100.00 100.00 1.97e-25 REF WP_015478773 "transcriptional regulator MvaT, P16 subunit [Pseudomonas denitrificans]" 87.27 124 97.92 97.92 2.05e-24 stop_ save_ save_DNA_(5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA_(5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3') _Molecular_mass 3662.434 _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence ; CGCATATATGCG ; loop_ _Residue_seq_code _Residue_label 1 DC 2 DG 3 DC 4 DA 5 DT 6 DA 7 DT 8 DA 9 DT 10 DG 11 DC 12 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $MvaT 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa PAO1 mvaT stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MvaT 'recombinant technology' . . . . pET21b $DNA_(5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3') 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MvaT 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $DNA_(5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3') 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144952 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132905 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MvaT _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 79 4 ALA H H 8.362 . 1 2 79 4 ALA HA H 4.405 . 1 3 79 4 ALA HB H 1.366 . 1 4 79 4 ALA CA C 52.062 . 1 5 79 4 ALA CB C 19.856 . 1 6 79 4 ALA N N 126.297 . 1 7 80 5 ARG H H 8.751 . 1 8 80 5 ARG HA H 4.472 . 1 9 80 5 ARG HB2 H 1.844 . 2 10 80 5 ARG HB3 H 2.010 . 2 11 80 5 ARG HG2 H 1.771 . 2 12 80 5 ARG HG3 H 1.924 . 2 13 80 5 ARG HD2 H 3.379 . 2 14 80 5 ARG HD3 H 3.379 . 2 15 80 5 ARG HE H 7.699 . 1 16 80 5 ARG CA C 55.393 . 1 17 80 5 ARG CB C 31.577 . 1 18 80 5 ARG CG C 27.988 . 1 19 80 5 ARG CD C 43.246 . 1 20 80 5 ARG N N 122.919 . 1 21 80 5 ARG NE N 86.102 . 1 22 81 6 LYS H H 8.703 . 1 23 81 6 LYS HA H 4.282 . 1 24 81 6 LYS HB2 H 1.693 . 2 25 81 6 LYS HB3 H 1.764 . 2 26 81 6 LYS HG2 H 1.533 . 2 27 81 6 LYS HG3 H 1.361 . 2 28 81 6 LYS HD2 H 1.682 . 2 29 81 6 LYS HD3 H 1.682 . 2 30 81 6 LYS HE2 H 2.993 . 2 31 81 6 LYS HE3 H 2.993 . 2 32 81 6 LYS CA C 56.114 . 1 33 81 6 LYS CB C 33.719 . 1 34 81 6 LYS CG C 25.609 . 1 35 81 6 LYS CD C 29.427 . 1 36 81 6 LYS CE C 42.291 . 1 37 81 6 LYS N N 123.284 . 1 38 82 7 VAL H H 8.376 . 1 39 82 7 VAL HA H 3.904 . 1 40 82 7 VAL HB H 1.902 . 1 41 82 7 VAL HG1 H 0.830 . 2 42 82 7 VAL HG2 H 0.930 . 2 43 82 7 VAL CA C 62.794 . 1 44 82 7 VAL CB C 32.882 . 1 45 82 7 VAL CG1 C 22.036 . 1 46 82 7 VAL CG2 C 22.036 . 1 47 82 7 VAL N N 122.078 . 1 48 83 8 LYS H H 8.499 . 1 49 83 8 LYS HA H 4.746 . 1 50 83 8 LYS HB2 H 1.369 . 2 51 83 8 LYS HB3 H 1.702 . 2 52 83 8 LYS HG2 H 1.047 . 2 53 83 8 LYS HG3 H 1.421 . 2 54 83 8 LYS HD2 H 1.640 . 2 55 83 8 LYS HD3 H 1.561 . 2 56 83 8 LYS HE2 H 2.808 . 2 57 83 8 LYS HE3 H 2.808 . 2 58 83 8 LYS CA C 55.401 . 1 59 83 8 LYS CB C 35.848 . 1 60 83 8 LYS CG C 26.087 . 1 61 83 8 LYS CD C 30.143 . 1 62 83 8 LYS CE C 41.935 . 1 63 83 8 LYS N N 127.036 . 1 64 84 9 GLN H H 8.814 . 1 65 84 9 GLN HA H 5.372 . 1 66 84 9 GLN HB2 H 1.809 . 2 67 84 9 GLN HB3 H 2.076 . 2 68 84 9 GLN HG2 H 1.914 . 2 69 84 9 GLN HG3 H 2.309 . 2 70 84 9 GLN HE21 H 6.858 . 2 71 84 9 GLN HE22 H 8.116 . 2 72 84 9 GLN CA C 53.852 . 1 73 84 9 GLN CB C 32.748 . 1 74 84 9 GLN CG C 35.860 . 1 75 84 9 GLN N N 123.240 . 1 76 84 9 GLN NE2 N 113.642 . 1 77 85 10 TYR H H 9.579 . 1 78 85 10 TYR HA H 5.025 . 1 79 85 10 TYR HB2 H 2.949 . 2 80 85 10 TYR HB3 H 3.208 . 2 81 85 10 TYR HD1 H 7.086 . 3 82 85 10 TYR HE1 H 6.599 . 3 83 85 10 TYR CA C 57.542 . 1 84 85 10 TYR CB C 42.055 . 1 85 85 10 TYR CD1 C 133.384 . 3 86 85 10 TYR CE1 C 118.839 . 3 87 85 10 TYR N N 125.877 . 1 88 86 11 LYS H H 7.733 . 1 89 86 11 LYS HA H 5.099 . 1 90 86 11 LYS HB2 H 1.561 . 2 91 86 11 LYS HB3 H 1.700 . 2 92 86 11 LYS HG2 H 0.870 . 2 93 86 11 LYS HG3 H 1.074 . 2 94 86 11 LYS HD2 H 1.485 . 2 95 86 11 LYS HD3 H 1.485 . 2 96 86 11 LYS HE2 H 2.763 . 2 97 86 11 LYS HE3 H 2.763 . 2 98 86 11 LYS CA C 54.191 . 1 99 86 11 LYS CB C 33.946 . 1 100 86 11 LYS CG C 24.662 . 1 101 86 11 LYS CD C 29.376 . 1 102 86 11 LYS CE C 41.816 . 1 103 86 11 LYS N N 123.448 . 1 104 87 12 ASN H H 8.669 . 1 105 87 12 ASN HA H 3.187 . 1 106 87 12 ASN HB2 H 0.870 . 2 107 87 12 ASN HB3 H 2.443 . 2 108 87 12 ASN CA C 49.455 . 1 109 87 12 ASN CB C 38.242 . 1 110 87 12 ASN N N 127.092 . 1 111 88 13 PRO HA H 3.860 . 1 112 88 13 PRO HB2 H 1.249 . 2 113 88 13 PRO HB3 H 1.556 . 2 114 88 13 PRO HG2 H 0.206 . 2 115 88 13 PRO HG3 H 1.054 . 2 116 88 13 PRO HD2 H 0.723 . 2 117 88 13 PRO HD3 H 1.883 . 2 118 88 13 PRO CA C 63.261 . 1 119 88 13 PRO CB C 31.097 . 1 120 88 13 PRO CG C 25.018 . 1 121 88 13 PRO CD C 47.912 . 1 122 89 14 HIS H H 7.542 . 1 123 89 14 HIS HA H 4.237 . 1 124 89 14 HIS HB2 H 2.718 . 2 125 89 14 HIS HB3 H 3.070 . 2 126 89 14 HIS CA C 56.813 . 1 127 89 14 HIS CB C 29.186 . 1 128 89 14 HIS N N 118.187 . 1 129 90 15 THR H H 6.585 . 1 130 90 15 THR HA H 4.459 . 1 131 90 15 THR HB H 4.308 . 1 132 90 15 THR HG2 H 1.067 . 1 133 90 15 THR CA C 60.832 . 1 134 90 15 THR CB C 70.893 . 1 135 90 15 THR CG2 C 21.300 . 1 136 90 15 THR N N 105.622 . 1 137 91 16 GLY H H 8.089 . 1 138 91 16 GLY HA2 H 3.465 . 2 139 91 16 GLY HA3 H 4.132 . 2 140 91 16 GLY CA C 45.465 . 1 141 91 16 GLY N N 112.393 . 1 142 92 17 GLU H H 7.549 . 1 143 92 17 GLU HA H 4.208 . 1 144 92 17 GLU HB2 H 2.045 . 2 145 92 17 GLU HB3 H 2.278 . 2 146 92 17 GLU HG2 H 2.372 . 2 147 92 17 GLU HG3 H 2.372 . 2 148 92 17 GLU CA C 57.273 . 1 149 92 17 GLU CB C 32.756 . 1 150 92 17 GLU CG C 37.058 . 1 151 92 17 GLU N N 121.128 . 1 152 93 18 VAL H H 8.458 . 1 153 93 18 VAL HA H 5.442 . 1 154 93 18 VAL HB H 1.943 . 1 155 93 18 VAL HG1 H 0.890 . 2 156 93 18 VAL HG2 H 0.944 . 2 157 93 18 VAL CA C 60.762 . 1 158 93 18 VAL CB C 34.914 . 1 159 93 18 VAL CG1 C 21.555 . 1 160 93 18 VAL CG2 C 21.555 . 1 161 93 18 VAL N N 122.395 . 1 162 94 19 ILE H H 8.896 . 1 163 94 19 ILE HA H 4.737 . 1 164 94 19 ILE HB H 1.502 . 1 165 94 19 ILE HG12 H 0.944 . 2 166 94 19 ILE HG13 H 1.150 . 2 167 94 19 ILE HG2 H 0.549 . 1 168 94 19 ILE HD1 H -0.237 . 1 169 94 19 ILE CA C 59.342 . 1 170 94 19 ILE CB C 42.292 . 1 171 94 19 ILE CG1 C 26.570 . 1 172 94 19 ILE CG2 C 17.504 . 1 173 94 19 ILE CD1 C 12.750 . 1 174 94 19 ILE N N 123.031 . 1 175 95 20 GLU H H 8.581 . 1 176 95 20 GLU HA H 5.463 . 1 177 95 20 GLU HB2 H 1.863 . 2 178 95 20 GLU HB3 H 1.953 . 2 179 95 20 GLU HG2 H 2.070 . 2 180 95 20 GLU HG3 H 2.277 . 2 181 95 20 GLU CA C 54.679 . 1 182 95 20 GLU CB C 32.274 . 1 183 95 20 GLU CG C 37.062 . 1 184 95 20 GLU N N 124.081 . 1 185 96 21 THR H H 8.977 . 1 186 96 21 THR HA H 4.931 . 1 187 96 21 THR HB H 4.050 . 1 188 96 21 THR HG2 H 1.046 . 1 189 96 21 THR CA C 59.617 . 1 190 96 21 THR CB C 69.962 . 1 191 96 21 THR CG2 C 19.656 . 1 192 96 21 THR N N 116.312 . 1 193 97 22 LYS H H 9.100 . 1 194 97 22 LYS HA H 4.780 . 1 195 97 22 LYS HB2 H 1.828 . 2 196 97 22 LYS HB3 H 1.963 . 2 197 97 22 LYS HG2 H 1.326 . 2 198 97 22 LYS HG3 H 1.496 . 2 199 97 22 LYS HD2 H 1.693 . 2 200 97 22 LYS HD3 H 1.693 . 2 201 97 22 LYS HE2 H 2.987 . 2 202 97 22 LYS HE3 H 2.987 . 2 203 97 22 LYS CA C 56.116 . 1 204 97 22 LYS CB C 33.954 . 1 205 97 22 LYS CG C 25.844 . 1 206 97 22 LYS CD C 30.008 . 1 207 97 22 LYS CE C 42.289 . 1 208 97 22 LYS N N 126.298 . 1 209 98 23 GLY H H 8.465 . 1 210 98 23 GLY HA2 H 4.226 . 2 211 98 23 GLY HA3 H 4.226 . 2 212 98 23 GLY CA C 45.314 . 1 213 98 23 GLY N N 108.761 . 1 214 99 24 GLY H H 8.690 . 1 215 99 24 GLY HA2 H 3.882 . 2 216 99 24 GLY HA3 H 4.186 . 2 217 99 24 GLY CA C 45.707 . 1 218 99 24 GLY N N 107.419 . 1 219 100 25 ASN H H 8.537 . 1 220 100 25 ASN HA H 4.779 . 1 221 100 25 ASN HB2 H 2.571 . 2 222 100 25 ASN HB3 H 2.873 . 2 223 100 25 ASN HD21 H 6.863 . 2 224 100 25 ASN HD22 H 7.515 . 2 225 100 25 ASN CA C 52.539 . 1 226 100 25 ASN CB C 38.242 . 1 227 100 25 ASN N N 121.762 . 1 228 100 25 ASN ND2 N 112.796 . 1 229 101 26 HIS H H 7.234 . 1 230 101 26 HIS HA H 4.649 . 1 231 101 26 HIS HB2 H 2.867 . 2 232 101 26 HIS HB3 H 2.867 . 2 233 101 26 HIS HD2 H 7.227 . 1 234 101 26 HIS HE1 H 7.665 . 1 235 101 26 HIS CA C 56.587 . 1 236 101 26 HIS CB C 33.122 . 1 237 101 26 HIS CD2 C 118.839 . 1 238 101 26 HIS CE1 C 138.526 . 1 239 101 26 HIS N N 121.786 . 1 240 102 27 LYS H H 9.197 . 1 241 102 27 LYS HA H 3.843 . 1 242 102 27 LYS HB2 H 1.750 . 2 243 102 27 LYS HB3 H 1.807 . 2 244 102 27 LYS HG2 H 1.347 . 2 245 102 27 LYS HG3 H 1.446 . 2 246 102 27 LYS HD2 H 1.679 . 2 247 102 27 LYS HD3 H 1.679 . 2 248 102 27 LYS HE2 H 2.969 . 2 249 102 27 LYS HE3 H 2.969 . 2 250 102 27 LYS CA C 60.522 . 1 251 102 27 LYS CB C 33.003 . 1 252 102 27 LYS CG C 24.647 . 1 253 102 27 LYS CD C 29.415 . 1 254 102 27 LYS CE C 42.063 . 1 255 102 27 LYS N N 129.777 . 1 256 103 28 THR H H 8.602 . 1 257 103 28 THR HA H 3.884 . 1 258 103 28 THR HB H 3.719 . 1 259 103 28 THR HG2 H 0.576 . 1 260 103 28 THR CA C 66.117 . 1 261 103 28 THR CB C 67.921 . 1 262 103 28 THR CG2 C 22.384 . 1 263 103 28 THR N N 118.704 . 1 264 104 29 LEU H H 7.993 . 1 265 104 29 LEU HA H 3.378 . 1 266 104 29 LEU HB2 H 1.086 . 2 267 104 29 LEU HB3 H 1.740 . 2 268 104 29 LEU HG H 1.166 . 1 269 104 29 LEU HD1 H 0.440 . 2 270 104 29 LEU HD2 H 0.065 . 2 271 104 29 LEU CA C 58.182 . 1 272 104 29 LEU CB C 42.054 . 1 273 104 29 LEU CG C 26.237 . 1 274 104 29 LEU CD1 C 24.899 . 1 275 104 29 LEU CD2 C 23.190 . 1 276 104 29 LEU N N 123.240 . 1 277 105 30 LYS H H 8.103 . 1 278 105 30 LYS HA H 3.860 . 1 279 105 30 LYS HB2 H 1.885 . 2 280 105 30 LYS HB3 H 1.885 . 2 281 105 30 LYS HG2 H 1.464 . 2 282 105 30 LYS HG3 H 1.764 . 2 283 105 30 LYS HD2 H 1.675 . 2 284 105 30 LYS HD3 H 1.752 . 2 285 105 30 LYS HE2 H 2.879 . 2 286 105 30 LYS HE3 H 2.977 . 2 287 105 30 LYS CA C 60.606 . 1 288 105 30 LYS CB C 32.067 . 1 289 105 30 LYS CG C 25.598 . 1 290 105 30 LYS CD C 29.645 . 1 291 105 30 LYS CE C 41.828 . 1 292 105 30 LYS N N 117.437 . 1 293 106 31 GLU H H 7.678 . 1 294 106 31 GLU HA H 4.175 . 1 295 106 31 GLU HB2 H 2.295 . 2 296 106 31 GLU HB3 H 2.457 . 2 297 106 31 GLU HG2 H 2.325 . 2 298 106 31 GLU HG3 H 2.592 . 2 299 106 31 GLU CA C 59.521 . 1 300 106 31 GLU CB C 29.097 . 1 301 106 31 GLU CG C 36.330 . 1 302 106 31 GLU N N 122.184 . 1 303 107 32 TRP H H 9.033 . 1 304 107 32 TRP HA H 5.128 . 1 305 107 32 TRP HB2 H 3.626 . 2 306 107 32 TRP HB3 H 3.706 . 2 307 107 32 TRP HD1 H 7.477 . 1 308 107 32 TRP HE1 H 10.646 . 1 309 107 32 TRP HZ2 H 7.430 . 1 310 107 32 TRP HH2 H 7.045 . 1 311 107 32 TRP CA C 58.667 . 1 312 107 32 TRP CB C 29.426 . 1 313 107 32 TRP CD1 C 125.291 . 1 314 107 32 TRP CZ2 C 115.339 . 1 315 107 32 TRP CH2 C 125.619 . 1 316 107 32 TRP N N 121.761 . 1 317 107 32 TRP NE1 N 130.665 . 1 318 108 33 LYS H H 8.918 . 1 319 108 33 LYS HA H 3.720 . 1 320 108 33 LYS HB2 H 1.713 . 2 321 108 33 LYS HB3 H 1.984 . 2 322 108 33 LYS HG2 H 1.052 . 2 323 108 33 LYS HG3 H 1.907 . 2 324 108 33 LYS HD2 H 1.624 . 2 325 108 33 LYS HD3 H 1.756 . 2 326 108 33 LYS HE2 H 2.631 . 2 327 108 33 LYS HE3 H 2.910 . 2 328 108 33 LYS CA C 60.859 . 1 329 108 33 LYS CB C 32.579 . 1 330 108 33 LYS CG C 28.463 . 1 331 108 33 LYS CD C 29.918 . 1 332 108 33 LYS CE C 42.161 . 1 333 108 33 LYS N N 120.390 . 1 334 109 34 ALA H H 7.911 . 1 335 109 34 ALA HA H 4.169 . 1 336 109 34 ALA HB H 1.531 . 1 337 109 34 ALA CA C 54.668 . 1 338 109 34 ALA CB C 18.198 . 1 339 109 34 ALA N N 121.975 . 1 340 110 35 LYS H H 7.555 . 1 341 110 35 LYS HA H 3.982 . 1 342 110 35 LYS HB2 H 1.082 . 2 343 110 35 LYS HB3 H 1.452 . 2 344 110 35 LYS HG2 H 0.047 . 2 345 110 35 LYS HG3 H 0.707 . 2 346 110 35 LYS HD2 H 0.872 . 2 347 110 35 LYS HD3 H 1.168 . 2 348 110 35 LYS HE2 H 2.443 . 2 349 110 35 LYS HE3 H 2.555 . 2 350 110 35 LYS CA C 58.485 . 1 351 110 35 LYS CB C 33.449 . 1 352 110 35 LYS CG C 24.405 . 1 353 110 35 LYS CD C 28.711 . 1 354 110 35 LYS CE C 42.029 . 1 355 110 35 LYS N N 117.982 . 1 356 111 36 TRP H H 8.703 . 1 357 111 36 TRP HB2 H 3.002 . 2 358 111 36 TRP HB3 H 3.518 . 2 359 111 36 TRP HD1 H 7.391 . 1 360 111 36 TRP HE1 H 10.092 . 1 361 111 36 TRP HE3 H 8.041 . 1 362 111 36 TRP HZ2 H 7.213 . 1 363 111 36 TRP HZ3 H 6.921 . 1 364 111 36 TRP HH2 H 6.994 . 1 365 111 36 TRP CB C 30.375 . 1 366 111 36 TRP CD1 C 127.697 . 1 367 111 36 TRP CE3 C 121.135 . 1 368 111 36 TRP CZ2 C 114.547 . 1 369 111 36 TRP CZ3 C 121.573 . 1 370 111 36 TRP CH2 C 123.760 . 1 371 111 36 TRP N N 116.645 . 1 372 111 36 TRP NE1 N 129.996 . 1 373 112 37 GLY H H 7.544 . 1 374 112 37 GLY HA2 H 4.280 . 2 375 112 37 GLY HA3 H 4.575 . 2 376 112 37 GLY CA C 43.957 . 1 377 112 37 GLY N N 111.211 . 1 378 113 38 PRO HA H 3.993 . 1 379 113 38 PRO HB2 H 2.105 . 2 380 113 38 PRO HB3 H 2.333 . 2 381 113 38 PRO HG2 H 2.055 . 2 382 113 38 PRO HG3 H 2.219 . 2 383 113 38 PRO HD2 H 3.805 . 2 384 113 38 PRO HD3 H 3.926 . 2 385 113 38 PRO CA C 65.860 . 1 386 113 38 PRO CB C 32.106 . 1 387 113 38 PRO CG C 27.813 . 1 388 113 38 PRO CD C 50.583 . 1 389 114 39 GLU H H 8.477 . 1 390 114 39 GLU HA H 3.966 . 1 391 114 39 GLU HB2 H 1.978 . 2 392 114 39 GLU HB3 H 2.050 . 2 393 114 39 GLU HG2 H 2.317 . 2 394 114 39 GLU HG3 H 2.352 . 2 395 114 39 GLU CA C 59.912 . 1 396 114 39 GLU CB C 28.713 . 1 397 114 39 GLU CG C 36.852 . 1 398 114 39 GLU N N 118.172 . 1 399 115 40 ALA H H 8.144 . 1 400 115 40 ALA HA H 3.939 . 1 401 115 40 ALA HB H 1.369 . 1 402 115 40 ALA CA C 54.530 . 1 403 115 40 ALA CB C 17.863 . 1 404 115 40 ALA N N 123.454 . 1 405 116 41 VAL H H 7.146 . 1 406 116 41 VAL HA H 1.934 . 1 407 116 41 VAL HB H 1.675 . 1 408 116 41 VAL HG1 H 0.562 . 2 409 116 41 VAL HG2 H 0.880 . 2 410 116 41 VAL CA C 65.156 . 1 411 116 41 VAL CB C 31.321 . 1 412 116 41 VAL CG1 C 23.248 . 1 413 116 41 VAL CG2 C 22.750 . 1 414 116 41 VAL N N 117.016 . 1 415 117 42 GLU H H 7.965 . 1 416 117 42 GLU HA H 4.378 . 1 417 117 42 GLU HB2 H 2.036 . 2 418 117 42 GLU HB3 H 2.146 . 2 419 117 42 GLU HG2 H 2.407 . 2 420 117 42 GLU HG3 H 2.461 . 2 421 117 42 GLU CA C 58.845 . 1 422 117 42 GLU CB C 28.705 . 1 423 117 42 GLU CG C 36.274 . 1 424 117 42 GLU N N 117.013 . 1 425 118 43 SER H H 7.557 . 1 426 118 43 SER HA H 4.548 . 1 427 118 43 SER HB2 H 4.050 . 2 428 118 43 SER HB3 H 4.250 . 2 429 118 43 SER CA C 60.573 . 1 430 118 43 SER CB C 63.655 . 1 431 118 43 SER N N 116.277 . 1 432 119 44 TRP H H 7.911 . 1 433 119 44 TRP HA H 5.052 . 1 434 119 44 TRP HB2 H 3.769 . 2 435 119 44 TRP HB3 H 3.971 . 2 436 119 44 TRP HD1 H 6.881 . 1 437 119 44 TRP HE1 H 9.880 . 1 438 119 44 TRP HE3 H 7.568 . 1 439 119 44 TRP HZ2 H 7.012 . 1 440 119 44 TRP HZ3 H 6.297 . 1 441 119 44 TRP HH2 H 6.159 . 1 442 119 44 TRP CA C 54.686 . 1 443 119 44 TRP CB C 28.932 . 1 444 119 44 TRP CD1 C 125.182 . 1 445 119 44 TRP CE3 C 120.698 . 1 446 119 44 TRP CZ2 C 113.590 . 1 447 119 44 TRP CZ3 C 121.026 . 1 448 119 44 TRP CH2 C 124.088 . 1 449 119 44 TRP N N 124.608 . 1 450 119 44 TRP NE1 N 128.617 . 1 451 120 45 ALA H H 7.337 . 1 452 120 45 ALA HA H 4.818 . 1 453 120 45 ALA HB H 0.825 . 1 454 120 45 ALA CA C 51.596 . 1 455 120 45 ALA CB C 20.081 . 1 456 120 45 ALA N N 122.504 . 1 457 121 46 THR H H 8.772 . 1 458 121 46 THR HA H 4.390 . 1 459 121 46 THR HB H 4.015 . 1 460 121 46 THR HG2 H 1.169 . 1 461 121 46 THR CA C 61.602 . 1 462 121 46 THR CB C 71.370 . 1 463 121 46 THR CG2 C 21.322 . 1 464 121 46 THR N N 117.229 . 1 465 122 47 LEU H H 8.559 . 1 466 122 47 LEU HA H 4.568 . 1 467 122 47 LEU HB2 H 1.582 . 2 468 122 47 LEU HB3 H 1.582 . 2 469 122 47 LEU HG H 1.575 . 1 470 122 47 LEU HD1 H 0.807 . 2 471 122 47 LEU HD2 H 0.864 . 2 472 122 47 LEU CA C 55.013 . 1 473 122 47 LEU CB C 42.365 . 1 474 122 47 LEU CG C 27.249 . 1 475 122 47 LEU CD1 C 24.442 . 1 476 122 47 LEU CD2 C 24.899 . 1 477 122 47 LEU N N 126.611 . 1 478 123 48 LEU H H 8.501 . 1 479 123 48 LEU HA H 4.371 . 1 480 123 48 LEU HB2 H 1.481 . 2 481 123 48 LEU HB3 H 1.589 . 2 482 123 48 LEU HG H 1.509 . 1 483 123 48 LEU HD1 H 0.731 . 2 484 123 48 LEU HD2 H 0.781 . 2 485 123 48 LEU CA C 54.919 . 1 486 123 48 LEU CB C 42.297 . 1 487 123 48 LEU CG C 26.802 . 1 488 123 48 LEU CD1 C 23.089 . 1 489 123 48 LEU CD2 C 25.117 . 1 490 123 48 LEU N N 125.983 . 1 491 124 49 GLY H H 8.389 . 1 492 124 49 GLY HA2 H 3.918 . 2 493 124 49 GLY HA3 H 3.918 . 2 494 124 49 GLY CA C 45.300 . 1 495 124 49 GLY N N 109.947 . 1 496 125 50 HIS H H 8.320 . 1 497 125 50 HIS HA H 4.617 . 1 498 125 50 HIS HB2 H 3.026 . 2 499 125 50 HIS HB3 H 3.131 . 2 500 125 50 HIS CA C 55.643 . 1 501 125 50 HIS CB C 29.915 . 1 502 125 50 HIS N N 119.290 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')_1" _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 DC H1' H 5.755 . 1 2 1 1 DC H2' H 1.947 . 2 3 1 1 DC H2'' H 2.396 . 2 4 1 1 DC H3' H 4.700 . 1 5 1 1 DC H4' H 4.059 . 1 6 1 1 DC H5 H 5.880 . 1 7 1 1 DC H5' H 3.717 . 2 8 1 1 DC H5'' H 3.723 . 2 9 1 1 DC H6 H 7.610 . 1 10 2 2 DG H1 H 12.994 . 1 11 2 2 DG H1' H 5.892 . 1 12 2 2 DG H2' H 2.650 . 2 13 2 2 DG H2'' H 2.738 . 2 14 2 2 DG H3' H 4.974 . 1 15 2 2 DG H8 H 7.935 . 1 16 3 3 DC H1' H 5.619 . 1 17 3 3 DC H2' H 2.103 . 2 18 3 3 DC H2'' H 2.416 . 2 19 3 3 DC H3' H 4.837 . 1 20 3 3 DC H4' H 3.450 . 1 21 3 3 DC H5 H 5.438 . 1 22 3 3 DC H5' H 3.367 . 2 23 3 3 DC H5'' H 3.373 . 2 24 3 3 DC H6 H 7.374 . 1 25 3 3 DC H41 H 6.440 . 2 26 3 3 DC H42 H 8.277 . 2 27 4 4 DA H1' H 6.230 . 1 28 4 4 DA H2 H 7.550 . 1 29 4 4 DA H2' H 2.651 . 2 30 4 4 DA H2'' H 2.923 . 2 31 4 4 DA H3' H 4.994 . 1 32 4 4 DA H4' H 4.190 . 1 33 4 4 DA H8 H 8.264 . 1 34 5 5 DT H1' H 5.638 . 1 35 5 5 DT H2' H 2.137 . 2 36 5 5 DT H2'' H 2.493 . 2 37 5 5 DT H3 H 13.217 . 1 38 5 5 DT H3' H 4.873 . 1 39 5 5 DT H4' H 3.530 . 1 40 5 5 DT H6 H 7.158 . 1 41 5 5 DT H71 H 1.500 . 1 42 5 5 DT H72 H 1.500 . 1 43 5 5 DT H73 H 1.500 . 1 44 6 6 DA H1' H 6.107 . 1 45 6 6 DA H2 H 7.030 . 1 46 6 6 DA H2' H 2.559 . 2 47 6 6 DA H2'' H 2.828 . 2 48 6 6 DA H3' H 4.962 . 1 49 6 6 DA H4' H 3.822 . 1 50 6 6 DA H8 H 8.147 . 1 51 7 7 DT H1' H 5.730 . 1 52 7 7 DT H2' H 2.160 . 2 53 7 7 DT H2'' H 2.493 . 2 54 7 7 DT H3 H 13.176 . 1 55 7 7 DT H3' H 4.872 . 1 56 7 7 DT H6 H 7.158 . 1 57 7 7 DT H71 H 1.359 . 1 58 7 7 DT H72 H 1.359 . 1 59 7 7 DT H73 H 1.359 . 1 60 8 8 DA H1' H 6.107 . 1 61 8 8 DA H2 H 7.143 . 1 62 8 8 DA H2' H 2.572 . 2 63 8 8 DA H2'' H 2.815 . 2 64 8 8 DA H3' H 4.955 . 1 65 8 8 DA H4' H 3.812 . 1 66 8 8 DA H5' H 4.164 . 1 67 8 8 DA H8 H 8.141 . 1 68 9 9 DT H1' H 5.835 . 1 69 9 9 DT H2' H 2.065 . 2 70 9 9 DT H2'' H 2.436 . 2 71 9 9 DT H3 H 13.426 . 1 72 9 9 DT H3' H 4.877 . 1 73 9 9 DT H6 H 7.104 . 1 74 9 9 DT H71 H 1.299 . 1 75 9 9 DT H72 H 1.299 . 1 76 9 9 DT H73 H 1.299 . 1 77 10 10 DG H1 H 12.596 . 1 78 10 10 DG H1' H 5.775 . 1 79 10 10 DG H2' H 2.549 . 2 80 10 10 DG H2'' H 2.630 . 2 81 10 10 DG H3' H 4.935 . 1 82 10 10 DG H4' H 4.168 . 1 83 10 10 DG H5' H 4.398 . 1 84 10 10 DG H8 H 7.778 . 1 85 11 11 DC H1' H 5.756 . 1 86 11 11 DC H2' H 1.889 . 2 87 11 11 DC H2'' H 2.318 . 2 88 11 11 DC H3' H 4.798 . 1 89 11 11 DC H4' H 4.150 . 1 90 11 11 DC H5 H 5.376 . 1 91 11 11 DC H6 H 7.315 . 1 92 11 11 DC H41 H 6.518 . 2 93 11 11 DC H42 H 8.389 . 2 94 12 12 DG H1 H 12.994 . 1 95 12 12 DG H1' H 6.137 . 1 96 12 12 DG H2' H 2.358 . 2 97 12 12 DG H2'' H 2.603 . 2 98 12 12 DG H3' H 4.662 . 1 99 12 12 DG H4' H 4.163 . 1 100 12 12 DG H5' H 4.398 . 2 101 12 12 DG H5'' H 4.410 . 2 102 12 12 DG H8 H 7.920 . 1 stop_ save_ save_assigned_chem_shift_list_1_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')_2" _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 13 1 DC H1' H 5.755 . 1 2 13 1 DC H2' H 1.947 . 2 3 13 1 DC H2'' H 2.396 . 2 4 13 1 DC H3' H 4.700 . 1 5 13 1 DC H4' H 4.059 . 1 6 13 1 DC H5 H 5.880 . 1 7 13 1 DC H5' H 3.717 . 2 8 13 1 DC H5'' H 3.723 . 2 9 13 1 DC H6 H 7.610 . 1 10 14 2 DG H1 H 12.994 . 1 11 14 2 DG H1' H 5.892 . 1 12 14 2 DG H2' H 2.650 . 2 13 14 2 DG H2'' H 2.738 . 2 14 14 2 DG H3' H 4.974 . 1 15 14 2 DG H8 H 7.935 . 1 16 15 3 DC H1' H 5.619 . 1 17 15 3 DC H2' H 2.103 . 2 18 15 3 DC H2'' H 2.416 . 2 19 15 3 DC H3' H 4.837 . 1 20 15 3 DC H4' H 3.450 . 1 21 15 3 DC H5 H 5.438 . 1 22 15 3 DC H5' H 3.367 . 2 23 15 3 DC H5'' H 3.373 . 2 24 15 3 DC H6 H 7.374 . 1 25 15 3 DC H41 H 6.440 . 2 26 15 3 DC H42 H 8.277 . 2 27 16 4 DA H1' H 6.230 . 1 28 16 4 DA H2 H 7.550 . 1 29 16 4 DA H2' H 2.651 . 2 30 16 4 DA H2'' H 2.923 . 2 31 16 4 DA H3' H 4.994 . 1 32 16 4 DA H4' H 4.190 . 1 33 16 4 DA H8 H 8.264 . 1 34 17 5 DT H1' H 5.638 . 1 35 17 5 DT H2' H 2.137 . 2 36 17 5 DT H2'' H 2.493 . 2 37 17 5 DT H3 H 13.217 . 1 38 17 5 DT H3' H 4.873 . 1 39 17 5 DT H4' H 3.530 . 1 40 17 5 DT H6 H 7.158 . 1 41 17 5 DT H71 H 1.500 . 1 42 17 5 DT H72 H 1.500 . 1 43 17 5 DT H73 H 1.500 . 1 44 18 6 DA H1' H 6.107 . 1 45 18 6 DA H2 H 7.030 . 1 46 18 6 DA H2' H 2.559 . 2 47 18 6 DA H2'' H 2.828 . 2 48 18 6 DA H3' H 4.962 . 1 49 18 6 DA H4' H 3.822 . 1 50 18 6 DA H8 H 8.147 . 1 51 19 7 DT H1' H 5.730 . 1 52 19 7 DT H2' H 2.160 . 2 53 19 7 DT H2'' H 2.493 . 2 54 19 7 DT H3 H 13.176 . 1 55 19 7 DT H3' H 4.872 . 1 56 19 7 DT H6 H 7.158 . 1 57 19 7 DT H71 H 1.359 . 1 58 19 7 DT H72 H 1.359 . 1 59 19 7 DT H73 H 1.359 . 1 60 20 8 DA H1' H 6.107 . 1 61 20 8 DA H2 H 7.143 . 1 62 20 8 DA H2' H 2.572 . 2 63 20 8 DA H2'' H 2.815 . 2 64 20 8 DA H3' H 4.955 . 1 65 20 8 DA H4' H 3.812 . 1 66 20 8 DA H5' H 4.164 . 1 67 20 8 DA H8 H 8.141 . 1 68 21 9 DT H1' H 5.835 . 1 69 21 9 DT H2' H 2.065 . 2 70 21 9 DT H2'' H 2.436 . 2 71 21 9 DT H3 H 13.426 . 1 72 21 9 DT H3' H 4.877 . 1 73 21 9 DT H6 H 7.104 . 1 74 21 9 DT H71 H 1.299 . 1 75 21 9 DT H72 H 1.299 . 1 76 21 9 DT H73 H 1.299 . 1 77 22 10 DG H1 H 12.596 . 1 78 22 10 DG H1' H 5.775 . 1 79 22 10 DG H2' H 2.549 . 2 80 22 10 DG H2'' H 2.630 . 2 81 22 10 DG H3' H 4.935 . 1 82 22 10 DG H4' H 4.168 . 1 83 22 10 DG H5' H 4.398 . 1 84 22 10 DG H8 H 7.778 . 1 85 23 11 DC H1' H 5.756 . 1 86 23 11 DC H2' H 1.889 . 2 87 23 11 DC H2'' H 2.318 . 2 88 23 11 DC H3' H 4.798 . 1 89 23 11 DC H4' H 4.150 . 1 90 23 11 DC H5 H 5.376 . 1 91 23 11 DC H6 H 7.315 . 1 92 23 11 DC H41 H 6.518 . 2 93 23 11 DC H42 H 8.389 . 2 94 24 12 DG H1 H 12.994 . 1 95 24 12 DG H1' H 6.137 . 1 96 24 12 DG H2' H 2.358 . 2 97 24 12 DG H2'' H 2.603 . 2 98 24 12 DG H3' H 4.662 . 1 99 24 12 DG H4' H 4.163 . 1 100 24 12 DG H5' H 4.398 . 2 101 24 12 DG H5'' H 4.410 . 2 102 24 12 DG H8 H 7.920 . 1 stop_ save_