Figure 2.

(A,B) ¹⁵N relaxation rate constants R₁, R₂ and (C,D) ¹³C^α/β secondary chemical shifts δ_sec for H4 histone proteins in NCP. Experimental values are shown with red circles, the results of MD-based calculations—with blue and green diamonds (first and second copy of H4, as enumerated in the structure 3LZ0). The MD trajectory is that of NCP in TIP4P-D water, with a net length of 2 μs. Additionally, ¹H^N and ¹⁵N δ_sec data are summarized in Figure S5.