Direction of the simulated dehydration re- sponse is correct in all water-facing carbon segments-except for the two S CH that should remain zero at all hydrations (γ and g 1S , see Fig. ). For these, simulations predict decreases that may fit within the margin of experimental error in γ, but not in g 1S (even if the dipolar coupling spectrum of the g 1 carbon is less clearly resolved, and thus its S CH uncertainty higher, than of the other water-facing carbons).