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Table 4 Non-Native Peak Assignment

From: Probing the folding of mini-protein Beta3s by two-dimensional infrared spectroscopy; simulation study

Assigned Peak/Residue
ω 1 -ω3 Ns ω 1 ω 3 Cs
1660 1621 Tyr11 Ile18 1642 1678 Gly6 Lys9
     1642 1674 Gly6 Gln12
ω 1 3 Ch ω 1 3 612
1663 1684 Asn5 Tyr11 Trp2 Gln4 1660 1665
1663 1698 Asn5 Ile18 Trp2 Gly6 1660 1642
     Gln4 Gly6 1665 1642
     Trp11 Gly14 1641 1632
     Asn13 Thr16 1673 1684
     Asn13 Lys17 1673 1687
  1. Specific peak assignment of mode contributions from NMA for the non-native conformation non-native peaks of Beta3s. Mode-peak assignments for non-native conformations are presented for non-native peaks.