We investigated eleven non-peptidic or semi-peptidic macrocycles for which experimental NOE data is available from the literature (Figure ): Compounds 1 and 2 from Begnini et al. (called B1 and B2 in this work), G16 and E2-enant from Poongavanam et al. , as well as rifampicin, spiramycin, telithromycin, and roxithromycin from Danelius et al. . Furthermore, we used the data for lorlatinib from Peng et al. , as well as the compounds NLeu5R and NLeu5S from Comeau et al. . NOE data was taken from the respective original publications. Some distance bounds were discarded or re-normalized to account for errors, after discussion with the original authors. The details are provided in the Supporting Information.