Our results show that CoM-CG calculations underestimate the value of R 1 by a multiplicative factor of about 6 (Fig. ) as compared to AA calculations. Interestingly, this factor of ≈ 6 on R 1 , which we refer to in the following as an offset in the log-log scale, is found to be quasi-independent of the PEG concentration c PEG , PEG molar mass M PEG , and simulation temperature T (Fig. ). Our results show that even though NMR calculations applied at a coarse-grained level do not provide a quantitative estimate for R 1 , they can remarkably still provide the right trends.