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. 2023 Aug 10;127(33):7266–7275. doi: 10.1021/acs.jpcb.3c03687

Table 3. Parameter Values Used to Simulate Each of the Seven Line Shapes in Figure 4a.

label site κ (kBT) angular excursion jump rate (Hz) base libration jump rate (Hz)
A4 0.5 13° 7 × 106 1 × 108
G5 0.5 15° 3 × 106 4 × 108
C6 0.5 12° 5 × 106 1 × 109
G7 0.5 15° 3 × 106 4 × 108
C8 0.5 9.5° 2.5 × 106 1 × 108
T9 0.5 12.5° 4 × 106 1 × 108
5mC6 0.5 12° 5 × 106 1 × 109
a

The potential used for these simulations was Inline graphic.