Abstract
Interatomic distances of isotopically doubly labeled N-Acetyl-Pro-Gly-Phe crystals, obtained from rotational echo double resonance (REDOR) experiments, were analyzed as a three-spin system in which observed nuclei are simultaneously coupled with isotopically labeled intra- and intermolecular heteronuclei. In particular, the intermolecular dipolar interaction was examined to obtain a clue as to the relative orientation of a given molecule to the surrounding neighbors. We have developed a systematic procedure to determine both the intra- and intermolecular interatomic distances and the angle between these two interatomic vectors. The former intramolecular distances were determined by fitting the infinitely diluted normalized REDOR differences ΔS/S0 values to the theoretical curve as a two-spin system. Then, ΔS/S0 values from undiluted doubly labeled samples were analyzed as three-spin systems. Subsequently, the interatomic distances and the angles, between the two isotopically labeled nuclei belonging to th...
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