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The enhancement for 13C is estimated to be over 1200-fold at 600 MHz which corresponds to an impressive measurement time reduction of 1 440 000-fold. This photo-CIDNP active oxidation product of tryptophan has been identified to be 3α-hydroxypyrroloindole. The reasons for its improved signal enhancement compared to tryptophan have been further investigated.We studied the conformation-induced spectral response of water molecules due to site-specific structural alterations of solvated hydrogen peroxide (H2O2) employing DFT-based first pr