Structures and simulated perpendicular 2D IR spectra for idealized turn/β-sheet structures labeled at positions 3 (a) and 5 (b). Solid boxes designate features corresponding to the β-sheet region (box A), turn (box B), and label (box C), while dashed boxes designate cross-peaks that arise due to coupling between these features (boxes xAB, xAB′, xAC, and xBC). The intensity of the turn/β-sheet cross-peak (box xAB) is plotted as a function of residue position (c). The projection angles of the label, turn, and β-sheet relative to the fiber axis are also plotted as a function of residue position (d).