Structural statistics for the 20 lowest-energy structures of KTX in solution and in the solid phase.

aDefined as the average rmsd difference between the 20 structures and the mean coordinates.
bThe two distance restraints G1(Hα1)-I4(Hα) and I4(Hγ11)-C35(Hα) were violated by 0.69 and 0.6 Å, respectively. The two restraints came from weak cross peak in the spectra and were assigned a distance range of 1.8–6.0 Å in the calculations.