Fig. 3. The discrepancy of calculated ^h3J_NC′ coupling from the experiments.

a The absolute average ^h3J_NC′ difference of each system. The upper panel shows the average of absolute difference and the lower panel shows the ratio of absolute difference over experimental value. b The residue-wise Δ^h3J_NC′ of all systems. Each panel organizes the Δ^h3J_NC′ of different pressures in a specific temperature. The hydrogen bonds are indexed by the donor residue. The panel background is colored by the secondary structure domains, i.e., yellow for helices and pink for sheets. The dotted baselines indicate the thresholds ±0.1 Hz.