Table S4.

Temperature coefficients of the AMC peptide in TFE/H₂O (80/20)

Residue	Δδ/ΔT (ppb/K)
1 C	–
2 P	–
3 I	−10.0±0.4
4 F	−1.5±0.3
5 T	−0.6±0.3
6 K	−1.1±0.5
7 I	−4.7±0.7
8 Q	−5.8±0.6
9 G	−3.3±0.8
10 T	−5.0±0.5
11 C	−2.6±0.5
12 G	−6.5±0.3
13 G	−5.3±0.4
14 R	–
15 R	−4.5±0.8
16 K	−6.7±0.6
17 K	−5.6±0.6

Notes: Δδ/ΔT for Arg14 could not be determined due to chemical shift overlaps at higher temperatures. Data are presented as mean ± standard deviation.

Abbreviations: AMC, antimicrobial cyclic peptide; TFE, 2-2-2 trifluoroethanol-d3; C, cysteine; P, proline; I, isoleucine; F, phenylalanine; T, threonine; K, lysine; Q, glutamine; G, glycine; R, arginine.