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. Author manuscript; available in PMC: 2010 Apr 29.
Published in final edited form as: J Am Chem Soc. 2009 Apr 29;131(16):5769–5776. doi: 10.1021/ja806578y

Figure 8.

Figure 8

Numerical simulation of PAR (a) and NHHN (b) polarization transfer between nitrogens from a β-bridge partner residues in an antiparallel β-sheet. The black solid line represents simulations with only amide protons included, and the red dashed line represents simulation with amide protons plus 6 other closest protons. The simulations were performed at ωr/2π= 20 kHz and ω0H/2π= 750 MHz and include all chemical shifts (see Table SI5). The 1H-15N CP steps in NHHN are simulated explicitly using 0.15 ms contact time with ω1H/2π= 100 kHz and ω1N/2π= 80 kHz. The PAR mixing settings are: pN = 2.7 and pH = 2.5.