Table 3. Line Shape Changes for the CN Stretching Bands (from Figure 2) of Probe-Labeled Peptides Bound to CaMa.
peptide | Δmode (cm–1) | Δmean (cm–1) | Δfwhm (cm–1) | mean SASA (Å2) |
---|---|---|---|---|
W4C* | –8.6 | –6.0 | +3.1 | 0.25 |
F8C* | –5.8 | –7.4 | +1.1 | 0.01 |
S12C* | –6.7 | –5.1 | –0.8 | 6.33 |
R16C* | –1.9 | –1.3 | +4.4 | 6.46 |
I20C* | –2.9 | –0.8 | –1.5 | 7.92 |
S23C* | –1.0 | –1.0 | +0.7 | 17.6 |
Full line shape analysis parameters are reported in the Supporting Information. SASA values are calculated for the SCN group’s N atom.