Table 3. Percentage of BI substates obtained with PARMBSC1 compared with PARMBSC0 and NMR experiments^a.

Bps	PARMBSC0	PARMBSC1	NMR1	NMR2
GC	48	73	75	53
CG	87	78	75	66
GA	53	45	53	44
AA	91	82	75	63
AT	99	98	100	78
TT	100	99	99	93
TC	98	93	89	92
CG	79	62	75	77
GC	71	61	79	35

^aBI percentage for the bps in the DD dodecamer, obtained by averaging the difference between ϵ and ζ angles at the 3′-junction of the Watson strand of each base pair. NMR1 and NMR2 are values obtained using phosphorus chemical shifts as detailed in the works of Schwieters et al. (NMR1 (80)) and Tian et al. (NMR2, (79)), respectively.