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. 2015 Jul 13;6(10):5473–5490. doi: 10.1039/c5sc01699a

Table 2. Amide proton temperature coefficients indicating intramolecularly H-bonded protons in diastereomeric norbornapeptides 1–9 a .

1 2 3 b 4 5 6 7 b 8 9
l/d-Leu1-HN 7.3 8.1 3.7 7.7 7.8 8.5 6.8 7.8 7.2
Gly2-HN 7.9 7.7 4.4 6.8 7.0 7.9 6.2 7.6 7.9
l/d-Lys3-HN 8.8 3.1 2.4 2.1 1.3 2.8 1.4 2.0 1.6
l/d-Phe4-HN 6.6 7.2 5.2 5.3 10.0 8.0 6.3 8.8 9.2
l-Glu6-HN 1.7 2.3 –1.0 1.2 1.2 1.2 1.8 1.5 7.2
l/d-Ala7-HN 3.0 7.6 0.3 1.4 9.6 6.2 9.9 9.0 8.3
l/d-Lys3-H 6.6 7.3 n.d. 4.3 6.6 6.6 n.d. 6.5 2.0

aCoefficients in –ΔδT (ppb K–1). Fully H-bonded protons (boldface) have –ΔδT < 4.0 ppb K–1 and partially H-bonded protons have –ΔδT = 4.0–7.0 ppb K–1. n.d. = not determined. Low values indicating intramolecular H-bonds are highlighted in bold.

bCoefficient values given for the major conformer of the prolyl bond, trans for 3 and cis for 7. Residue number according to the position in the parent linear precursor (Table 1).