Figure 2.

Chemical shifts of the PrP-H1 peptide. (A, C, and E) Comparison of the measured (black) and back-calculated (red) chemical shifts. The error bars for the back-calculated shifts report the standard error of SPARTA (24). (A) ¹³C^α atoms. (C) ¹³C^β atoms. (E) ¹H^α atoms. (B and D) Secondary shifts from the RC reference (25, 61). (B) ¹H^α secondary shifts. (D) ¹³C^α secondary shifts. (F) Overall helical content in the sampling, calculated as the sum of the reweighted occurrences of α-helix and 3₁₀-helix, which are both associated with positive ¹³C^α and negative ¹H^α secondary shifts.