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. Author manuscript; available in PMC: 2021 Jul 3.
Published in final edited form as: J Phys Chem B. 2017 Nov 27;121(48):10804–10817. doi: 10.1021/acs.jpcb.7b08934

Table 2.

Optimum PAR Conditions in N-Ac-VL for the SUBPAR Data Shown in Figures 4 and 5

ω1C/2π, ω1H/2π (kHz)
observed spin experimental simulated
valine CO 83, 39 83, 39
valine Cβ 80.8, 54.4 83, 41.2
valine Cγ2 61, 74.2 72, 58.8
leucine Cβ 32.4, 74.2 83, 74.2
leucine Cγ 63.2, 58.8 72, 39