. Author manuscript; available in PMC: 2012 Aug 1.

Published in final edited form as: Biochemistry. 2007 Oct 26;46(46):13310–13321. doi: 10.1021/bi701386f

Table 1.

Dynamic NMR and thermodynamic parameters for the FAF-modified 12-mer NarI-dC duplexes

	NarI-dC/G₃	NarI-dC/G₁	NarI-dC/G₂
B:S ratio^a @ 20 °C	25%:75%	56%:44%	65%:35%
B:S ratio^a @ 2 °C	31%:69%	46%:56%	71%:29%
k_c @ 30 °C (s⁻¹)^b	163	378	378
τ @ 30 °C (ms) ^c	6.14	3.00	3.00
ΔG⁰ (cal/mol)^d	−639.6	140.4	360.3
ΔG^≠ @ 30 °C (kcal/mol)^e	14.7	14.2	14.2

Percent population of B and S conformers based on integration of ¹⁹F NMR signals.

Rate constant. (STD ±25%). The data were obtained by complete line shape analysis of temperature dependent ¹⁹F NMR results using the WINDNMR-Pro Shareware.

Exchange time (1/k) indicates the amount of time the adduct spends in one conformation before jumping into another conformation.

The energy difference between the two conformers: ΔG° = −RT ln K_eq [K_eq=S/B].

The S/B interconversion energy barrier @ 30 °C.

The S/B interconversion energy barrier @ 30 °C obtained from Eyring equation (36): ΔG^≠_C=4.58 T_C (10.32 + log T_C/k_C) cal/mol. SD ± 0.2 kcal/mol.