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. Author manuscript; available in PMC: 2020 Apr 29.
Published in final edited form as: Acc Chem Res. 2008 Jul 17;41(10):1289–1300. doi: 10.1021/ar700264k

TABLE 2.

Summary of NMR Data for HBS α-Helix 9

graphic file with name nihms-1581329-t0003.jpg
peptide residues
Q1 V2 R4 Q5 L6 A7 E8 I9 Y10
3JNH-CαH (ppm) 8.4 4.0 4.4 4.8 4.4 3.3 4.8 6.0 6.9
calculated φ (deg)a −95 −58 −62 −65 −62 −52 −65 −74 −81
temperature coefficient (ppb/K) −4.45 −8.88 2.70 −2.64 −5.69 −4.50 −2.98 −3.26 −5.85
H/D exchange rate (log k) −4.10 −3.96 −5.19 −4.66 −4.79 −4.44 −3.78 −4.49 −3.96
protection factor (log) 1.64 1.13 2.94 2.62 2.09 1.90 1.60 1.94 1.13
−ΔG (kcal/mol) 2.18 1.47 3.94 3.51 2.80 2.54 2.12 2.33 1.48
a

Calculated according to the Karplus equation.51,52