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. 2013 Mar 15;8(3):e57701. doi: 10.1371/journal.pone.0057701

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.