Table 1.

NMR structural calculations summary

Restraints used in the structure calculation
Distance restraints	1990
φ angle restraints	98
Type of distance restraints
Intraresidual (|i − j = 0|)	452
Sequential (|i − j = 1|)	394
Medium-range (2 ≤ |i − j| ≤ 5)	273
Long-range (|i − j| > 5)	871

Violation statistics	Mean	Minimum	Maximum
Target function	2.32	1.82	2.82
Maximum violation (Å)	0.27	0.18	0.55
Sum of violations (Å)	13.4	11.8	14.9

Energy	Mean (Kcal/mole)	Range (Kcal/mole)
Total	−725	−1563 −285
van der Waals	−558	−818 −267
Electrostatic	−10005	−10784 −9698
NOEs	13	8 24

PROCHEK analysis
Favorable	63%
Additional	34%
Generous	3%
Nonfavorable	0%