Figure 4.
Theoretical R2/R1 and I/I0 at 600 MHz 1H frequency as a function of overall correlation time,τm, for four motional models. Model 1, isotropic rotation with a single overall rotational correlation time (solid, red curve) is shown in all panels for reference. A) and B) Axially symmetric rotation with Dzz = D□=1.3 and Dxx = Dyy = D⊥ =0.85, and τm = 1/[2(Dxx + Dyy + Dzz)]. Two curves delimit the relaxation for N-H bond vectors aligned parallel (dashed, green) or perpendicular (dotted, blue) to the z-axial component of the diffusion tensor. C) and D) Overall isotropic rotation with a fast internal motion. Model 3, very fast internal motion squares, S2=0.5 (filled squares, red). Model 4, internal motion with τint=0.1 ns and S2=0.85 (dashed, green), 0.6 (dash-dot, cyan) and 0.5 (dotted, blue). The vertical lines denote τm values estimated for CTD and NC core regions in unbound CTD-SP-NC.