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. Author manuscript; available in PMC: 2013 Dec 6.
Published in final edited form as: J Phys Chem Lett. 2012 Dec 6;3(23):3538–3544. doi: 10.1021/jz301670s

Figure 3.

Figure 3

These panels demonstrate the effect of heavy atom replacement on the promoting vibration that modulates the O5-O4 distance in 10 reactive trajectories in the light (panels a and b) and the heavy enzyme (panels c and d.) The results from 5 different trajectories are depicted in each panel. As in the previous figure, the trajectories are aligned so that 200 fs is the transition point (marked with an arrow.) There is clearly a significant delay in the promoting vibration relative to the transition point in the heavy enzyme.