Table 8. r(CAAU)^a.

	NMR	parm99	parmbsc0	parm99χ_Yil	ff10	parmTor
1–2 stack	present	29.6%	25.2%	6.9%	6.2%	8.8%
2–3 stack	present	60.1%	40.5%	75.1%	83.0%	47.4%
3–4 stack	present	32.8%	12.2%	10.6%	1.8%	19.5%
1–3 stack	none	2.7%	6.4%	2.3%	3.1%	18.3%
1–4 stack	none	2.4%	1.4%	0.5%	1.8%	1.4%
2–4 stack	none	2.8%	6.4%	2.1%	0.6%	22.7%
1–3–2 intercalation	none	0.0%	0.5%	15.6%	35.0%	17.4%
2–1–3 intercalation	none	0.0%	0.1%	0.0%	0.0%	1.7%
3–1–4 intercalation	none	0.1%	2.0%	44.6%	49.5%	17.1%
3–2–4 intercalation	none	0.1%	0.0%	1.7%	0.0%	0.0%
random coil	none	18.4%	29.7%	10.0%	2.3%	8.0%
β RMSD (Hz)	T	0.9	0.2	1.3	1.2	8.0
ϵ RMSD (Hz)	cf. Table 2	3.2	3.2	3.8	4.3	3.7
γ RMSD (Hz)	cf. Table 2	1.5	1.2	1.1	1.1	1.2
suger pucker RMSD (Hz)	cf. Table 2	3.3	2.7	0.8	0.5	2.4

^aCf. Table 6.