Table 2. 1H chemical shift assignments for 1 and 2 (δ) and shift variation of 1 (Δδ) in the presence of Htela.
| 1 | δ free | δ bound Htel | Δδ (δbound–δfree) | 2b | δ free |
| 4A | 8.36 | 8.10 | −0.26 | 1B | 8.31 |
| 1B | 8.28 | 8.10 | −0.18 | 3A | 8.22 |
| 3B | 7.92 | 7.74 | −0.18 | 4B | 7.92 |
| 4B | 7.87 | 7.74 | −0.13 | 1A | 7.90 |
| 2A | 7.80 | 7.66 | −0.14 | 2B | 7.80 |
| 2B | 7.55 | 7.48 | −0.07 | 3B | 7.49 |
| 3A | 7.55 | 7.20 | −0.35 | 2A | 7.30 |
| H1 | 7.27 | 7.00 | −0.27 | H Phe | 7.26–7.40 |
| H4 | 7.25 | 7.00 | −0.25 | CH2 ring1 | 4.00, 3.75, 3.49, 2.60, 2.45 |
| H2 | 7.10 | 6.61 | −0.49 | CH2 ring2 | 2.85, 2.15, 2.05, 1.86 |
| H3 | 6.76 | 6.42 | −0.34 | CH2 benz | 3.55 |
| Hind | 6.94 | 6.60 | −0.34 | CH | 2.62 |
| NH ind | 9.75 | 9.60 | −0.15 | NCH3 | 2.27 |
| CH2-NHind | 3.45 | n.d. | − | − | − |
| CH2-NH | 4.60 | n.d. | − | − | − |
| NCH3 | 2.20 | n.d. | − | − | − |
| CH2 ring | 2.8,2.93.4,3.9 | 2.27 2.82, 4.10 | −0.53, −0.63 −0.58,0.20 | − | − |
a
Measured in ppm at 25°C, R = [drug]/[DNA] = 3;
b
Tentatively the chemical shift variations are within −0.08 ppm and −0.5 ppm.