Table S1. Proton chemical shifts in the GTC:GAC DNA
duplex at pH 7.0, 27 °C.a
| Residue | N1H,N3H
| NH2 |
2H,5H,5CH3 | 6H, 8H
| 1'H |
2'H | 2''H
| 3'H |
4'H |
| G1 |
| | -
| 7.84 |
5.60 | 2.49
| 2.70 |
4.82 | 4.17
|
| A2 |
- |
| 7.94 |
8.23 | 6.23
| 2.74 |
2.88 | 5.02
| 4.44 |
| C3 |
- | 6.64,7.96
| 5.18 |
7.26 | 5.79
| 1.90 |
2.42 | 4.65
| 4.18 |
| T4 |
13.51 |
| 1.54 |
7.30 | 5.61
| 2.05 |
2.42 | 4.83
| 4.11 |
| A5 |
- |
| 6.71 |
8.22 | 5.92
| 2.72 |
2.90 | 5.03
| 4.39 |
| A6 |
- |
| 7.47 |
8.11 | 6.11
| 2.55 |
2.86 | 4.96
| 4.44 |
| T7 |
13.59 |
| 1.23 |
7.07 | 5.81
| 1.90 |
2.45 | 4.79
| 4.14 |
| T8 |
13.66 |
| 1.54 |
7.20 | 5.74
| 1.97 |
2.35 | 4.84
| 4.06 |
| G9 |
12.48 |
| - |
7.85 | 5.49
| 2.65 |
2.72 | 4.97
| 4.32 |
| A10 |
- |
| 7.88 |
8.11 | 6.21
| 2.58 |
2.83 | 4.97
| 4.40 |
| C11 |
- | 6.59,8.07
| 5.15 |
7.22 | 5.98
| 2.05 |
2.10 | 4.41
| 3.95 |
| | |
| | | |
| | |
| G12 |
| | -
| 7.91 |
5.96 | 2.64
| 2.76 |
4.78 | 4.21
|
| T13 |
13.75 |
| 1.28 |
7.40 | 6.09
| 2.15 |
2.49 | 4.87
| 4.24 |
| C14 |
- | 6.72,8.47
| 5.64 |
7.47 | 5.43
| 1.97 |
2.31 | 4.81
| 4.07 |
| A15 |
- |
| 7.10 |
8.23 | 5.89
| 2.76 |
2.89 | 5.03
| 4.38 |
| A16 |
- |
| 7.54 |
8.14 | 6.12
| 2.56 |
2.87 | 4.97
| 4.44 |
| T17 |
13.58 |
| 1.27 |
7.06 | 5.80
| 1.89 |
2.48 | 4.76
| 4.11 |
| T18 |
13.44 |
| 1.55 |
7.29 | 5.76
| 2.09 |
2.46 | 4.86
| 4.11 |
| A19 |
- |
| 7.10 |
8.17 | 6.00
| 2.70 |
2.85 | 5.01
| 4.39 |
| G20 |
12.66 |
| - |
7.53 | 5.82
| 2.43 |
2.65 | 4.80
| 4.35 |
| T21 |
13.81 |
| 1.25 |
7.22 | 6.04
| 2.06 |
2.46 | 4.80
| 4.16 |
| C22 |
- | 6.88,8.19
| 5.59 |
7.55 | 6.23
| 2.26 |
2.26 | 4.53
| 3.97 |
a Chemical shifts are referenced to
2,2-dimethyl-2-silapentane-5-sulfonate
using the HO2H resonance and the
calibration curve given by Hartel
et al. (1982) and Orbons et
al. (1987).
