################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34881 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 34881 1 2 '2D 1H-1H NOESY' . . . 34881 1 3 '2D DQF-COSY' . . . 34881 1 4 '2D 1H-15N HSQC' . . . 34881 1 5 '2D 1H-15N HSQC' . . . 34881 1 6 '2D 1H-13C HSQC' . . . 34881 1 7 '2D 1H-15N HSQC' . . . 34881 1 8 '2D 1H-1H NOESY' . . . 34881 1 9 '2D DQF-COSY' . . . 34881 1 10 '2D 1H-13C HSQC' . . . 34881 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 DG H1 H 1 11.679 0.002 . 1 . . 362 . A 1 DG H1 . 34881 1 2 . 1 . 1 1 1 DG H1' H 1 6.133 0.003 . 1 . . 359 . A 1 DG H1' . 34881 1 3 . 1 . 1 1 1 DG H2' H 1 2.585 0.003 . 1 . . 723 . A 1 DG H2' . 34881 1 4 . 1 . 1 1 1 DG H2'' H 1 3.213 0.002 . 1 . . 698 . A 1 DG H2'' . 34881 1 5 . 1 . 1 1 1 DG H3' H 1 5.009 0.003 . 1 . . 728 . A 1 DG H3' . 34881 1 6 . 1 . 1 1 1 DG H8 H 1 7.417 0.003 . 1 . . 358 . A 1 DG H8 . 34881 1 7 . 1 . 1 1 1 DG C8 C 13 141.348 . . 1 . . 893 . A 1 DG C8 . 34881 1 8 . 1 . 1 2 2 DG H1 H 1 11.903 0.005 . 1 . . 365 . A 2 DG H1 . 34881 1 9 . 1 . 1 2 2 DG H1' H 1 5.924 0.002 . 1 . . 357 . A 2 DG H1' . 34881 1 10 . 1 . 1 2 2 DG H2' H 1 2.520 0.003 . 1 . . 356 . A 2 DG H2' . 34881 1 11 . 1 . 1 2 2 DG H2'' H 1 2.845 0.002 . 1 . . 354 . A 2 DG H2'' . 34881 1 12 . 1 . 1 2 2 DG H3' H 1 5.107 0.001 . 1 . . 727 . A 2 DG H3' . 34881 1 13 . 1 . 1 2 2 DG H8 H 1 7.908 0.002 . 1 . . 355 . A 2 DG H8 . 34881 1 14 . 1 . 1 2 2 DG C8 C 13 138.135 . . 1 . . 885 . A 2 DG C8 . 34881 1 15 . 1 . 1 3 3 DG H1 H 1 11.237 0.003 . 1 . . 364 . A 3 DG H1 . 34881 1 16 . 1 . 1 3 3 DG H1' H 1 5.904 0.002 . 1 . . 350 . A 3 DG H1' . 34881 1 17 . 1 . 1 3 3 DG H2' H 1 2.775 0.003 . 1 . . 352 . A 3 DG H2' . 34881 1 18 . 1 . 1 3 3 DG H2'' H 1 2.499 0.003 . 1 . . 353 . A 3 DG H2'' . 34881 1 19 . 1 . 1 3 3 DG H3' H 1 5.012 0.001 . 1 . . 753 . A 3 DG H3' . 34881 1 20 . 1 . 1 3 3 DG H8 H 1 7.953 0.002 . 1 . . 351 . A 3 DG H8 . 34881 1 21 . 1 . 1 3 3 DG C8 C 13 138.759 . . 1 . . 883 . A 3 DG C8 . 34881 1 22 . 1 . 1 4 4 DC H1' H 1 6.174 0.003 . 1 . . 346 . A 4 DC H1' . 34881 1 23 . 1 . 1 4 4 DC H2' H 1 1.965 0.002 . 1 . . 348 . A 4 DC H2' . 34881 1 24 . 1 . 1 4 4 DC H2'' H 1 2.606 0.004 . 1 . . 349 . A 4 DC H2'' . 34881 1 25 . 1 . 1 4 4 DC H3' H 1 5.016 0.002 . 1 . . 729 . A 4 DC H3' . 34881 1 26 . 1 . 1 4 4 DC H5 H 1 5.696 0.003 . 1 . . 342 . A 4 DC H5 . 34881 1 27 . 1 . 1 4 4 DC H6 H 1 7.540 0.003 . 1 . . 341 . A 4 DC H6 . 34881 1 28 . 1 . 1 4 4 DC H41 H 1 8.102 0.005 . 1 . . 339 . A 4 DC H41 . 34881 1 29 . 1 . 1 4 4 DC H42 H 1 7.412 0.003 . 1 . . 722 . A 4 DC H42 . 34881 1 30 . 1 . 1 4 4 DC C6 C 13 142.956 . . 1 . . 894 . A 4 DC C6 . 34881 1 31 . 1 . 1 5 5 DG H1 H 1 12.644 0.003 . 1 . . 334 . A 5 DG H1 . 34881 1 32 . 1 . 1 5 5 DG H1' H 1 5.518 0.005 . 1 . . 344 . A 5 DG H1' . 34881 1 33 . 1 . 1 5 5 DG H2' H 1 2.610 0.002 . 1 . . 703 . A 5 DG H2' . 34881 1 34 . 1 . 1 5 5 DG H2'' H 1 2.521 0.002 . 1 . . 702 . A 5 DG H2'' . 34881 1 35 . 1 . 1 5 5 DG H3' H 1 4.953 0.003 . 1 . . 730 . A 5 DG H3' . 34881 1 36 . 1 . 1 5 5 DG H8 H 1 7.913 0.003 . 1 . . 345 . A 5 DG H8 . 34881 1 37 . 1 . 1 5 5 DG C8 C 13 138.127 . . 1 . . 884 . A 5 DG C8 . 34881 1 38 . 1 . 1 6 6 DC H1' H 1 5.677 0.003 . 1 . . 330 . A 6 DC H1' . 34881 1 39 . 1 . 1 6 6 DC H2' H 1 1.803 0.002 . 1 . . 704 . A 6 DC H2' . 34881 1 40 . 1 . 1 6 6 DC H2'' H 1 2.261 0.004 . 1 . . 706 . A 6 DC H2'' . 34881 1 41 . 1 . 1 6 6 DC H3' H 1 4.806 0.002 . 1 . . 731 . A 6 DC H3' . 34881 1 42 . 1 . 1 6 6 DC H5 H 1 5.448 0.001 . 1 . . 332 . A 6 DC H5 . 34881 1 43 . 1 . 1 6 6 DC H6 H 1 7.282 0.003 . 1 . . 331 . A 6 DC H6 . 34881 1 44 . 1 . 1 6 6 DC H41 H 1 8.099 0.003 . 1 . . 336 . A 6 DC H41 . 34881 1 45 . 1 . 1 6 6 DC H42 H 1 6.349 0.002 . 1 . . 337 . A 6 DC H42 . 34881 1 46 . 1 . 1 6 6 DC C6 C 13 142.699 . . 1 . . 891 . A 6 DC C6 . 34881 1 47 . 1 . 1 7 7 DG H1 H 1 12.773 0.002 . 1 . . 326 . A 7 DG H1 . 34881 1 48 . 1 . 1 7 7 DG H1' H 1 5.245 0.002 . 1 . . 318 . A 7 DG H1' . 34881 1 49 . 1 . 1 7 7 DG H2' H 1 2.612 0.001 . 1 . . 320 . A 7 DG H2' . 34881 1 50 . 1 . 1 7 7 DG H2'' H 1 2.653 0.003 . 1 . . 321 . A 7 DG H2'' . 34881 1 51 . 1 . 1 7 7 DG H3' H 1 4.921 0.0 . 1 . . 732 . A 7 DG H3' . 34881 1 52 . 1 . 1 7 7 DG H8 H 1 7.849 0.001 . 1 . . 319 . A 7 DG H8 . 34881 1 53 . 1 . 1 7 7 DG C8 C 13 138.187 . . 1 . . 906 . A 7 DG C8 . 34881 1 54 . 1 . 1 8 8 DA H1' H 1 5.861 0.004 . 1 . . 315 . A 8 DA H1' . 34881 1 55 . 1 . 1 8 8 DA H2 H 1 7.547 0.003 . 1 . . 322 . A 8 DA H2 . 34881 1 56 . 1 . 1 8 8 DA H2' H 1 2.289 0.001 . 1 . . 316 . A 8 DA H2' . 34881 1 57 . 1 . 1 8 8 DA H2'' H 1 2.590 0.004 . 1 . . 317 . A 8 DA H2'' . 34881 1 58 . 1 . 1 8 8 DA H3' H 1 4.935 0.0 . 1 . . 733 . A 8 DA H3' . 34881 1 59 . 1 . 1 8 8 DA H8 H 1 7.891 0.001 . 1 . . 314 . A 8 DA H8 . 34881 1 60 . 1 . 1 8 8 DA C2 C 13 154.454 0.0 . 1 . . 719 . A 8 DA C2 . 34881 1 61 . 1 . 1 8 8 DA C8 C 13 141.030 . . 1 . . 902 . A 8 DA C8 . 34881 1 62 . 1 . 1 9 9 DA H1' H 1 5.852 0.004 . 1 . . 296 . A 9 DA H1' . 34881 1 63 . 1 . 1 9 9 DA H2 H 1 7.667 0.002 . 1 . . 324 . A 9 DA H2 . 34881 1 64 . 1 . 1 9 9 DA H2' H 1 2.038 0.005 . 1 . . 312 . A 9 DA H2' . 34881 1 65 . 1 . 1 9 9 DA H2'' H 1 2.393 0.004 . 1 . . 313 . A 9 DA H2'' . 34881 1 66 . 1 . 1 9 9 DA H3' H 1 4.858 0.001 . 1 . . 734 . A 9 DA H3' . 34881 1 67 . 1 . 1 9 9 DA H8 H 1 7.437 0.002 . 1 . . 297 . A 9 DA H8 . 34881 1 68 . 1 . 1 9 9 DA C2 C 13 154.965 0.003 . 1 . . 718 . A 9 DA C2 . 34881 1 69 . 1 . 1 9 9 DA C8 C 13 139.835 . . 1 . . 904 . A 9 DA C8 . 34881 1 70 . 1 . 1 10 10 DG H1' H 1 5.350 0.003 . 1 . . 295 . A 10 DG H1' . 34881 1 71 . 1 . 1 10 10 DG H2' H 1 2.622 0.002 . 1 . . 311 . A 10 DG H2' . 34881 1 72 . 1 . 1 10 10 DG H2'' H 1 2.321 0.002 . 1 . . 310 . A 10 DG H2'' . 34881 1 73 . 1 . 1 10 10 DG H3' H 1 4.801 0.001 . 1 . . 735 . A 10 DG H3' . 34881 1 74 . 1 . 1 10 10 DG H8 H 1 8.039 0.003 . 1 . . 294 . A 10 DG H8 . 34881 1 75 . 1 . 1 10 10 DG C8 C 13 138.961 . . 1 . . 882 . A 10 DG C8 . 34881 1 76 . 1 . 1 11 11 DC H1' H 1 5.676 0.006 . 1 . . 291 . A 11 DC H1' . 34881 1 77 . 1 . 1 11 11 DC H2' H 1 1.577 0.003 . 1 . . 424 . A 11 DC H2' . 34881 1 78 . 1 . 1 11 11 DC H2'' H 1 2.022 0.002 . 1 . . 423 . A 11 DC H2'' . 34881 1 79 . 1 . 1 11 11 DC H3' H 1 4.395 0.0 . 1 . . 736 . A 11 DC H3' . 34881 1 80 . 1 . 1 11 11 DC H5 H 1 5.184 0.004 . 1 . . 293 . A 11 DC H5 . 34881 1 81 . 1 . 1 11 11 DC H6 H 1 7.165 0.002 . 1 . . 292 . A 11 DC H6 . 34881 1 82 . 1 . 1 11 11 DC C6 C 13 143.441 . . 1 . . 887 . A 11 DC C6 . 34881 1 83 . 1 . 1 12 12 DA H1' H 1 6.294 0.002 . 1 . . 289 . A 12 DA H1' . 34881 1 84 . 1 . 1 12 12 DA H2 H 1 8.021 0.003 . 1 . . 439 . A 12 DA H2 . 34881 1 85 . 1 . 1 12 12 DA H2' H 1 2.996 0.004 . 1 . . 417 . A 12 DA H2' . 34881 1 86 . 1 . 1 12 12 DA H2'' H 1 2.925 0.003 . 1 . . 416 . A 12 DA H2'' . 34881 1 87 . 1 . 1 12 12 DA H3' H 1 4.805 0.001 . 1 . . 726 . A 12 DA H3' . 34881 1 88 . 1 . 1 12 12 DA H8 H 1 8.064 0.002 . 1 . . 288 . A 12 DA H8 . 34881 1 89 . 1 . 1 12 12 DA C2 C 13 155.440 0.001 . 1 . . 720 . A 12 DA C2 . 34881 1 90 . 1 . 1 12 12 DA C8 C 13 143.158 . . 1 . . 880 . A 12 DA C8 . 34881 1 91 . 1 . 1 13 13 DT H1' H 1 5.649 0.003 . 1 . . 302 . A 13 DT H1' . 34881 1 92 . 1 . 1 13 13 DT H2' H 1 2.100 0.003 . 1 . . 709 . A 13 DT H2' . 34881 1 93 . 1 . 1 13 13 DT H2'' H 1 2.466 0.003 . 1 . . 710 . A 13 DT H2'' . 34881 1 94 . 1 . 1 13 13 DT H3 H 1 13.316 0.001 . 1 . . 325 . A 13 DT H3 . 34881 1 95 . 1 . 1 13 13 DT H3' H 1 4.747 0.001 . 1 . . 739 . A 13 DT H3' . 34881 1 96 . 1 . 1 13 13 DT H6 H 1 7.394 0.002 . 1 . . 290 . A 13 DT H6 . 34881 1 97 . 1 . 1 13 13 DT H71 H 1 1.817 0.001 . 1 . . 425 . A 13 DT H71 . 34881 1 98 . 1 . 1 13 13 DT H72 H 1 1.817 0.001 . 1 . . 425 . A 13 DT H72 . 34881 1 99 . 1 . 1 13 13 DT H73 H 1 1.817 0.001 . 1 . . 425 . A 13 DT H73 . 34881 1 100 . 1 . 1 13 13 DT C6 C 13 139.390 . . 1 . . 895 . A 13 DT C6 . 34881 1 101 . 1 . 1 14 14 DT H1' H 1 6.012 0.003 . 1 . . 304 . A 14 DT H1' . 34881 1 102 . 1 . 1 14 14 DT H2' H 1 2.124 0.004 . 1 . . 708 . A 14 DT H2' . 34881 1 103 . 1 . 1 14 14 DT H2'' H 1 2.395 0.002 . 1 . . 707 . A 14 DT H2'' . 34881 1 104 . 1 . 1 14 14 DT H3 H 1 13.880 0.003 . 1 . . 323 . A 14 DT H3 . 34881 1 105 . 1 . 1 14 14 DT H3' H 1 4.836 0.001 . 1 . . 740 . A 14 DT H3' . 34881 1 106 . 1 . 1 14 14 DT H6 H 1 7.392 0.002 . 1 . . 303 . A 14 DT H6 . 34881 1 107 . 1 . 1 14 14 DT H71 H 1 1.603 0.003 . 1 . . 436 . A 14 DT H71 . 34881 1 108 . 1 . 1 14 14 DT H72 H 1 1.603 0.003 . 1 . . 436 . A 14 DT H72 . 34881 1 109 . 1 . 1 14 14 DT H73 H 1 1.603 0.003 . 1 . . 436 . A 14 DT H73 . 34881 1 110 . 1 . 1 14 14 DT C6 C 13 139.840 . . 1 . . 896 . A 14 DT C6 . 34881 1 111 . 1 . 1 15 15 DC H1' H 1 5.423 0.002 . 1 . . 305 . A 15 DC H1' . 34881 1 112 . 1 . 1 15 15 DC H2' H 1 2.003 0.007 . 1 . . 307 . A 15 DC H2' . 34881 1 113 . 1 . 1 15 15 DC H2'' H 1 2.216 0.003 . 1 . . 308 . A 15 DC H2'' . 34881 1 114 . 1 . 1 15 15 DC H3' H 1 4.743 0.003 . 1 . . 444 . A 15 DC H3' . 34881 1 115 . 1 . 1 15 15 DC H5 H 1 5.629 0.002 . 1 . . 299 . A 15 DC H5 . 34881 1 116 . 1 . 1 15 15 DC H6 H 1 7.445 0.002 . 1 . . 298 . A 15 DC H6 . 34881 1 117 . 1 . 1 15 15 DC H41 H 1 8.467 0.001 . 1 . . 301 . A 15 DC H41 . 34881 1 118 . 1 . 1 15 15 DC H42 H 1 6.888 0.003 . 1 . . 300 . A 15 DC H42 . 34881 1 119 . 1 . 1 15 15 DC C6 C 13 143.686 . . 1 . . 897 . A 15 DC C6 . 34881 1 120 . 1 . 1 16 16 DG H1 H 1 12.771 0.004 . 1 . . 338 . A 16 DG H1 . 34881 1 121 . 1 . 1 16 16 DG H1' H 1 5.662 0.001 . 1 . . 309 . A 16 DG H1' . 34881 1 122 . 1 . 1 16 16 DG H2' H 1 2.199 0.002 . 1 . . 431 . A 16 DG H2' . 34881 1 123 . 1 . 1 16 16 DG H2'' H 1 2.199 0.004 . 1 . . 430 . A 16 DG H2'' . 34881 1 124 . 1 . 1 16 16 DG H3' H 1 4.695 0.001 . 1 . . 443 . A 16 DG H3' . 34881 1 125 . 1 . 1 16 16 DG H8 H 1 7.578 0.004 . 1 . . 306 . A 16 DG H8 . 34881 1 126 . 1 . 1 16 16 DG C8 C 13 138.174 . . 1 . . 898 . A 16 DG C8 . 34881 1 127 . 1 . 1 17 17 DC H1' H 1 5.321 0.004 . 1 . . 333 . A 17 DC H1' . 34881 1 128 . 1 . 1 17 17 DC H2' H 1 1.691 0.006 . 1 . . 432 . A 17 DC H2' . 34881 1 129 . 1 . 1 17 17 DC H2'' H 1 2.015 0.002 . 1 . . 433 . A 17 DC H2'' . 34881 1 130 . 1 . 1 17 17 DC H3' H 1 4.561 0.003 . 1 . . 442 . A 17 DC H3' . 34881 1 131 . 1 . 1 17 17 DC H5 H 1 4.431 0.003 . 1 . . 328 . A 17 DC H5 . 34881 1 132 . 1 . 1 17 17 DC H6 H 1 7.035 0.002 . 1 . . 329 . A 17 DC H6 . 34881 1 133 . 1 . 1 17 17 DC H41 H 1 7.881 0.003 . 1 . . 335 . A 17 DC H41 . 34881 1 134 . 1 . 1 17 17 DC H42 H 1 6.666 0.006 . 1 . . 327 . A 17 DC H42 . 34881 1 135 . 1 . 1 17 17 DC C6 C 13 142.785 . . 1 . . 886 . A 17 DC C6 . 34881 1 136 . 1 . 1 18 18 DG H1 H 1 13.616 0.005 . 1 . . 340 . A 18 DG H1 . 34881 1 137 . 1 . 1 18 18 DG H1' H 1 6.037 0.002 . 1 . . 435 . A 18 DG H1' . 34881 1 138 . 1 . 1 18 18 DG H2' H 1 2.550 0.004 . 1 . . 438 . A 18 DG H2' . 34881 1 139 . 1 . 1 18 18 DG H2'' H 1 3.193 0.002 . 1 . . 437 . A 18 DG H2'' . 34881 1 140 . 1 . 1 18 18 DG H3' H 1 4.976 . . 1 . . 741 . A 18 DG H3' . 34881 1 141 . 1 . 1 18 18 DG H8 H 1 8.474 0.002 . 1 . . 434 . A 18 DG H8 . 34881 1 142 . 1 . 1 19 19 DG H1 H 1 11.230 0.003 . 1 . . 400 . A 19 DG H1 . 34881 1 143 . 1 . 1 19 19 DG H1' H 1 5.789 0.004 . 1 . . 410 . A 19 DG H1' . 34881 1 144 . 1 . 1 19 19 DG H2' H 1 2.922 0.003 . 1 . . 404 . A 19 DG H2' . 34881 1 145 . 1 . 1 19 19 DG H2'' H 1 2.736 0.004 . 1 . . 403 . A 19 DG H2'' . 34881 1 146 . 1 . 1 19 19 DG H3' H 1 4.919 . . 1 . . 743 . A 19 DG H3' . 34881 1 147 . 1 . 1 19 19 DG H8 H 1 7.181 0.003 . 1 . . 347 . A 19 DG H8 . 34881 1 148 . 1 . 1 19 19 DG C8 C 13 141.438 . . 1 . . 889 . A 19 DG C8 . 34881 1 149 . 1 . 1 20 20 DG H1 H 1 10.826 0.003 . 1 . . 401 . A 20 DG H1 . 34881 1 150 . 1 . 1 20 20 DG H1' H 1 5.653 0.002 . 1 . . 408 . A 20 DG H1' . 34881 1 151 . 1 . 1 20 20 DG H2' H 1 2.393 0.002 . 1 . . 717 . A 20 DG H2' . 34881 1 152 . 1 . 1 20 20 DG H2'' H 1 2.282 0.003 . 1 . . 407 . A 20 DG H2'' . 34881 1 153 . 1 . 1 20 20 DG H3' H 1 4.922 0.001 . 1 . . 742 . A 20 DG H3' . 34881 1 154 . 1 . 1 20 20 DG H8 H 1 7.179 0.003 . 1 . . 405 . A 20 DG H8 . 34881 1 155 . 1 . 1 20 20 DG C8 C 13 140.638 . . 1 . . 888 . A 20 DG C8 . 34881 1 156 . 1 . 1 21 21 DG H1 H 1 11.167 0.002 . 1 . . 366 . A 21 DG H1 . 34881 1 157 . 1 . 1 21 21 DG H1' H 1 5.881 0.002 . 1 . . 412 . A 21 DG H1' . 34881 1 158 . 1 . 1 21 21 DG H2' H 1 2.634 0.005 . 1 . . 419 . A 21 DG H2' . 34881 1 159 . 1 . 1 21 21 DG H2'' H 1 2.492 0.004 . 1 . . 418 . A 21 DG H2'' . 34881 1 160 . 1 . 1 21 21 DG H3' H 1 5.086 0.003 . 1 . . 744 . A 21 DG H3' . 34881 1 161 . 1 . 1 21 21 DG H8 H 1 7.835 0.002 . 1 . . 411 . A 21 DG H8 . 34881 1 162 . 1 . 1 21 21 DG C8 C 13 138.050 . . 1 . . 907 . A 21 DG C8 . 34881 1 163 . 1 . 1 22 22 DT H1' H 1 6.253 0.002 . 1 . . 374 . A 22 DT H1' . 34881 1 164 . 1 . 1 22 22 DT H2' H 1 2.266 0.004 . 1 . . 414 . A 22 DT H2' . 34881 1 165 . 1 . 1 22 22 DT H2'' H 1 2.466 0.004 . 1 . . 415 . A 22 DT H2'' . 34881 1 166 . 1 . 1 22 22 DT H3' H 1 4.839 0.001 . 1 . . 745 . A 22 DT H3' . 34881 1 167 . 1 . 1 22 22 DT H6 H 1 7.821 0.002 . 1 . . 373 . A 22 DT H6 . 34881 1 168 . 1 . 1 22 22 DT H71 H 1 1.948 0.006 . 1 . . 413 . A 22 DT H71 . 34881 1 169 . 1 . 1 22 22 DT H72 H 1 1.948 0.006 . 1 . . 413 . A 22 DT H72 . 34881 1 170 . 1 . 1 22 22 DT H73 H 1 1.948 0.006 . 1 . . 413 . A 22 DT H73 . 34881 1 171 . 1 . 1 22 22 DT C6 C 13 140.024 . . 1 . . 900 . A 22 DT C6 . 34881 1 172 . 1 . 1 23 23 DT H1' H 1 5.735 0.002 . 1 . . 754 . A 23 DT H1' . 34881 1 173 . 1 . 1 23 23 DT H2' H 1 1.165 0.003 . 1 . . 421 . A 23 DT H2' . 34881 1 174 . 1 . 1 23 23 DT H2'' H 1 1.771 0.003 . 1 . . 422 . A 23 DT H2'' . 34881 1 175 . 1 . 1 23 23 DT H3' H 1 4.588 0.0 . 1 . . 737 . A 23 DT H3' . 34881 1 176 . 1 . 1 23 23 DT H6 H 1 7.175 0.002 . 1 . . 375 . A 23 DT H6 . 34881 1 177 . 1 . 1 23 23 DT H71 H 1 1.547 0.003 . 1 . . 420 . A 23 DT H71 . 34881 1 178 . 1 . 1 23 23 DT H72 H 1 1.547 0.003 . 1 . . 420 . A 23 DT H72 . 34881 1 179 . 1 . 1 23 23 DT H73 H 1 1.547 0.003 . 1 . . 420 . A 23 DT H73 . 34881 1 180 . 1 . 1 23 23 DT C6 C 13 138.620 . . 1 . . 890 . A 23 DT C6 . 34881 1 181 . 1 . 1 24 24 DA H1' H 1 5.771 0.003 . 1 . . 427 . A 24 DA H1' . 34881 1 182 . 1 . 1 24 24 DA H2 H 1 7.505 0.003 . 1 . . 441 . A 24 DA H2 . 34881 1 183 . 1 . 1 24 24 DA H2' H 1 2.673 0.003 . 1 . . 429 . A 24 DA H2' . 34881 1 184 . 1 . 1 24 24 DA H2'' H 1 2.681 0.004 . 1 . . 428 . A 24 DA H2'' . 34881 1 185 . 1 . 1 24 24 DA H3' H 1 4.916 0.002 . 1 . . 746 . A 24 DA H3' . 34881 1 186 . 1 . 1 24 24 DA H8 H 1 7.845 0.003 . 1 . . 426 . A 24 DA H8 . 34881 1 187 . 1 . 1 24 24 DA C2 C 13 155.318 0.006 . 1 . . 721 . A 24 DA C2 . 34881 1 188 . 1 . 1 24 24 DA C8 C 13 141.134 . . 1 . . 903 . A 24 DA C8 . 34881 1 189 . 1 . 1 25 25 DG H1 H 1 11.038 0.003 . 1 . . 402 . A 25 DG H1 . 34881 1 190 . 1 . 1 25 25 DG H1' H 1 6.013 0.003 . 1 . . 368 . A 25 DG H1' . 34881 1 191 . 1 . 1 25 25 DG H2' H 1 3.298 0.005 . 1 . . 699 . A 25 DG H2' . 34881 1 192 . 1 . 1 25 25 DG H2'' H 1 2.899 0.002 . 1 . . 700 . A 25 DG H2'' . 34881 1 193 . 1 . 1 25 25 DG H3' H 1 4.875 0.001 . 1 . . 748 . A 25 DG H3' . 34881 1 194 . 1 . 1 25 25 DG H8 H 1 7.340 0.003 . 1 . . 367 . A 25 DG H8 . 34881 1 195 . 1 . 1 25 25 DG C8 C 13 142.159 . . 1 . . 892 . A 25 DG C8 . 34881 1 196 . 1 . 1 26 26 DG H1 H 1 11.584 0.003 . 1 . . 398 . A 26 DG H1 . 34881 1 197 . 1 . 1 26 26 DG H1' H 1 5.813 0.003 . 1 . . 369 . A 26 DG H1' . 34881 1 198 . 1 . 1 26 26 DG H2' H 1 2.515 0.003 . 1 . . 712 . A 26 DG H2' . 34881 1 199 . 1 . 1 26 26 DG H2'' H 1 2.728 0.002 . 1 . . 711 . A 26 DG H2'' . 34881 1 200 . 1 . 1 26 26 DG H3' H 1 5.042 0.002 . 1 . . 747 . A 26 DG H3' . 34881 1 201 . 1 . 1 26 26 DG H8 H 1 7.861 0.003 . 1 . . 370 . A 26 DG H8 . 34881 1 202 . 1 . 1 26 26 DG C8 C 13 138.579 . . 1 . . 905 . A 26 DG C8 . 34881 1 203 . 1 . 1 27 27 DG H1 H 1 11.000 0.003 . 1 . . 397 . A 27 DG H1 . 34881 1 204 . 1 . 1 27 27 DG H1' H 1 6.107 0.002 . 1 . . 372 . A 27 DG H1' . 34881 1 205 . 1 . 1 27 27 DG H2' H 1 2.720 0.004 . 1 . . 388 . A 27 DG H2' . 34881 1 206 . 1 . 1 27 27 DG H2'' H 1 2.491 0.003 . 1 . . 387 . A 27 DG H2'' . 34881 1 207 . 1 . 1 27 27 DG H3' H 1 4.928 0.001 . 1 . . 749 . A 27 DG H3' . 34881 1 208 . 1 . 1 27 27 DG H8 H 1 7.825 0.002 . 1 . . 371 . A 27 DG H8 . 34881 1 209 . 1 . 1 27 27 DG C8 C 13 137.786 . . 1 . . 908 . A 27 DG C8 . 34881 1 210 . 1 . 1 28 28 DT H1' H 1 6.442 0.002 . 1 . . 381 . A 28 DT H1' . 34881 1 211 . 1 . 1 28 28 DT H2' H 1 2.342 0.002 . 1 . . 389 . A 28 DT H2' . 34881 1 212 . 1 . 1 28 28 DT H2'' H 1 2.582 0.002 . 1 . . 390 . A 28 DT H2'' . 34881 1 213 . 1 . 1 28 28 DT H3' H 1 4.947 0.001 . 1 . . 724 . A 28 DT H3' . 34881 1 214 . 1 . 1 28 28 DT H6 H 1 7.654 0.002 . 1 . . 380 . A 28 DT H6 . 34881 1 215 . 1 . 1 28 28 DT H71 H 1 1.704 0.003 . 1 . . 384 . A 28 DT H71 . 34881 1 216 . 1 . 1 28 28 DT H72 H 1 1.704 0.003 . 1 . . 384 . A 28 DT H72 . 34881 1 217 . 1 . 1 28 28 DT H73 H 1 1.704 0.003 . 1 . . 384 . A 28 DT H73 . 34881 1 218 . 1 . 1 28 28 DT C6 C 13 140.243 . . 1 . . 899 . A 28 DT C6 . 34881 1 219 . 1 . 1 29 29 DT H1' H 1 6.439 0.002 . 1 . . 383 . A 29 DT H1' . 34881 1 220 . 1 . 1 29 29 DT H2' H 1 2.231 0.004 . 1 . . 391 . A 29 DT H2' . 34881 1 221 . 1 . 1 29 29 DT H2'' H 1 2.438 0.004 . 1 . . 392 . A 29 DT H2'' . 34881 1 222 . 1 . 1 29 29 DT H3' H 1 4.802 . . 1 . . 725 . A 29 DT H3' . 34881 1 223 . 1 . 1 29 29 DT H6 H 1 7.806 0.004 . 1 . . 382 . A 29 DT H6 . 34881 1 224 . 1 . 1 29 29 DT H71 H 1 2.009 0.001 . 1 . . 385 . A 29 DT H71 . 34881 1 225 . 1 . 1 29 29 DT H72 H 1 2.009 0.001 . 1 . . 385 . A 29 DT H72 . 34881 1 226 . 1 . 1 29 29 DT H73 H 1 2.009 0.001 . 1 . . 385 . A 29 DT H73 . 34881 1 227 . 1 . 1 29 29 DT C6 C 13 139.420 . . 1 . . 901 . A 29 DT C6 . 34881 1 228 . 1 . 1 30 30 A1H3G H1 H 1 14.309 . . 1 . . 1411 . A 30 A1H3G H1 . 34881 1 229 . 1 . 1 30 30 A1H3G H1' H 1 5.400 0.003 . 1 . . 394 . A 30 A1H3G H1' . 34881 1 230 . 1 . 1 30 30 A1H3G H2 H 1 7.126 0.002 . 1 . . 440 . A 30 A1H3G H2 . 34881 1 231 . 1 . 1 30 30 A1H3G H2' H 1 2.044 0.003 . 1 . . 395 . A 30 A1H3G H2' . 34881 1 232 . 1 . 1 30 30 A1H3G H2'' H 1 2.432 0.003 . 1 . . 396 . A 30 A1H3G H2'' . 34881 1 233 . 1 . 1 30 30 A1H3G H3' H 1 4.790 0.001 . 1 . . 750 . A 30 A1H3G H3' . 34881 1 234 . 1 . 1 30 30 A1H3G H8 H 1 8.023 0.004 . 1 . . 393 . A 30 A1H3G H8 . 34881 1 235 . 1 . 1 30 30 A1H3G C2 C 13 145.814 . . 1 . . 1428 . A 30 A1H3G C2 . 34881 1 236 . 1 . 1 30 30 A1H3G C8 C 13 143.577 . . 1 . . 1429 . A 30 A1H3G C8 . 34881 1 237 . 1 . 1 31 31 DG H1 H 1 10.924 0.002 . 1 . . 361 . A 31 DG H1 . 34881 1 238 . 1 . 1 31 31 DG H1' H 1 6.197 0.004 . 1 . . 377 . A 31 DG H1' . 34881 1 239 . 1 . 1 31 31 DG H2' H 1 3.688 0.007 . 1 . . 701 . A 31 DG H2' . 34881 1 240 . 1 . 1 31 31 DG H2'' H 1 3.166 0.004 . 1 . . 697 . A 31 DG H2'' . 34881 1 241 . 1 . 1 31 31 DG H3' H 1 4.946 0.001 . 1 . . 752 . A 31 DG H3' . 34881 1 242 . 1 . 1 31 31 DG H8 H 1 7.264 0.003 . 1 . . 376 . A 31 DG H8 . 34881 1 243 . 1 . 1 31 31 DG C8 C 13 141.985 . . 1 . . 1430 . A 31 DG C8 . 34881 1 244 . 1 . 1 32 32 BGM H1 H 1 11.365 0.001 . 1 . . 360 . A 32 BGM H1 . 34881 1 245 . 1 . 1 32 32 BGM H1' H 1 6.033 0.003 . 1 . . 378 . A 32 BGM H1' . 34881 1 246 . 1 . 1 32 32 BGM H2' H 1 2.441 0.003 . 1 . . 715 . A 32 BGM H2' . 34881 1 247 . 1 . 1 32 32 BGM H2'' H 1 2.686 0.001 . 1 . . 716 . A 32 BGM H2' . 34881 1 248 . 1 . 1 32 32 BGM H3' H 1 5.074 0.003 . 1 . . 751 . A 32 BGM H3' . 34881 1 249 . 1 . 1 33 33 DG H1 H 1 11.689 0.003 . 1 . . 399 . A 33 DG H1 . 34881 1 250 . 1 . 1 33 33 DG H1' H 1 6.175 0.002 . 1 . . 379 . A 33 DG H1' . 34881 1 251 . 1 . 1 33 33 DG H2' H 1 2.608 0.003 . 1 . . 714 . A 33 DG H2' . 34881 1 252 . 1 . 1 33 33 DG H2'' H 1 2.314 0.002 . 1 . . 713 . A 33 DG H2'' . 34881 1 253 . 1 . 1 33 33 DG H3' H 1 4.692 0.001 . 1 . . 738 . A 33 DG H3' . 34881 1 254 . 1 . 1 33 33 DG H8 H 1 8.056 0.002 . 1 . . 363 . A 33 DG H8 . 34881 1 255 . 1 . 1 33 33 DG C8 C 13 139.163 . . 1 . . 881 . A 33 DG C8 . 34881 1 stop_ save_