We start validating our model by decomposing the simulated chiral SFG spectra of water into symmetric and asymmetric O-H stretch components and then comparing them to the results of fitting the computational spectra with the new functional form (equation 16). We calculate the O-H stretch spectra of all water molecules in the first hydration shell of LK7b and a subset of these water molecules that are hydrogen-bonded to the peptide backbone of LK7b (Figure ). The separation of symmetric and asymmetric stretch contributions is accomplished by adapting the Skinner group's inhomogeneous limit approximation approach to calculate chiral SFG spectra.