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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

-ω 3

Ch

ω 1

-ω 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.