Figure 8. Predicted against observed NOE volumes for the methyl cross-peaks to Trp⁵⁹ H^Nε1.

The experimental NOE volumes were normalized to the maximum value (Val¹⁰¹ C^γ2) and to the volumes of the corresponding ¹H–¹³C cross-peaks in the 2D HSQC spectrum to compensate for relaxation and differential enrichment effects. Generalized order parameter calculations were performed on the crystal structures of the wild-type protein and G89P variants and then weighted at 80% and 20% respectively.