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. 2018 May 22;57(26):3702–3712. doi: 10.1021/acs.biochem.8b00283

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
a

Full line shape analysis parameters are reported in the Supporting Information. SASA values are calculated for the SCN group’s N atom.