. Author manuscript; available in PMC: 2006 Sep 5.

Published in final edited form as: J Am Chem Soc. 2006 Jun 28;128(25):8227–8233. doi: 10.1021/ja060094y

Table 1.

Central Residue ¹³C NMR Chemical Shift Correlations for the Series TrpLys_m^tLeu₃–Ala_n^tLeu₃Lys_mNH₂, n = 15, 19, and 25, T = 10, 25, and 60 °C

temperature, °C	δ¹³C_Helix, ppm	δ¹³C_Coil, ppm	N = 15 δ¹³C	n = 19 δ¹³C	n = 25 δ¹³C
1. 10	180.75^a	177.4	exp 179.43	exp 180.45	exp 180.75
			calc 179.40	calc 180.43	calc 180.72
2. 25	180.70^a	177.3	exp 178.87	exp 179.87	exp 180.53
			calc 178.83	calc 179.90	calc 180.53
3. 60	180.35^a	177.0	exp 177.84	exp 178.20	exp 178.63
			calc 177.80	calc 178.20	calc 178.62
			w = 1.205^b	w = 1.181^b	w = 1.156^b

Limiting chemical shift values extrapolated from data measured at 2.3, 4.3, 6.3, and 8.3 °C. See Experimental Section for details.

Conventional length-independent w values assigned to 60 °C chemical shift values, n = 15, 19, 25; see text for a discussion.