13C nuclear magnetic resonance spectroscopy (13C NMR) ()

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, dimethyl sulfoxide) δ = 173.7 (Cq, CONH), 173.1 (Cq, CONH), 172.0 (Cq, CONH), 169.3 (Cq, CONH), 136.2 (Cq, trp-Car), 136.0 (Cq, trp-Car), 127.0 (Cq, 2 × trp-Car), 123.9 (+, trp-CH), 122.8 (+, trp-CH), 121.2 (+, trp-CH), 120.9 (+, trp-CH), 118.5 (+, trp-CH), 118.2 (+, trp-CH), 118.1 (+, trp-CH), 117.9 (+, trp-CH), 111.5 (+, trp-CH), 111.4 (+, trp-CH), 110.3 (Cq, trp(1)-Car), 109.6 (Cq, trp(1)-Car), 58.7 (+, trp-CαH), 58.0 (+, pro-CαH), 56.8 (+, trp-CαH), 56.2 (+, leu-CαH), 47.7 (–, pro-CδH2), 38.6 (–, leu-CH2), 32.4 (–, pro-CβH2), 27.6 (–, trp-CH2), 27.4 (–, trp-CH2), 24.4 (+, leu-CH), 22.3 (+, leu-CH3), 22.1 (+, leu-CH3), 20.2 (–, pro-CγH2).The spectrum contains multiple signal sets. Chemical shifts of the most prominent isomer are given. Signals of additional isomers, whereby isomer “(2)” is represented in a similar amount and isomer “(3)” represents a minor conformation: 173.3 (Cq, (2)-CON), 173.1 (Cq, (3)-CON), 172.0 (Cq, (2)-CON), 171.8 (Cq, (3)-CON), 171.6 (Cq, (2)-CON), 171.1 (Cq, (3)-CON), 170.8 (Cq, (3)-CON), 170.6 (Cq, (2)-CON), 136.4 (Cq, trp(2)-Car), 136.2 (Cq, trp(2)-Car), 1136.0 (Cq, trp(3)-Car), 127.2 (Cq, trp(2)-Car), 127.1 (Cq, 2 × trp(3)-Car), 126.5 (Cq, trp(2)-Car), 124.0 (+, trp(3)-CH), 123.6 (+, trp(3)-CH), 123.3 (+, trp(2)-CH), 122.9 (+, trp(2)-CH), 121.2 (+, trp(2)-CH), 121.0 (2 × trp(3)-CH), 120.9 (+, trp(2)-CH), 118.5–117.9 (+, 4 × trp(2)-CH, 4 × trp(3)-CH), 111.5–111.4 (+, 2 × trp(2)-CH, 2 × trp(3)-CH), 110.4 (Cq, trp(2)-Car,), 110.1 (Cq, trp(2)-Car), 109.9 (Cq, trp(3)-Car), 109.1 (Cq, trp(3)-Car), 60.0 (+,-leu(3)-CαH), 58.1 (+, trp(2)-CαH), 58.0 (+, trp(3)-CαH), 56.2 (+, trp(2)-CαH), 55.8 (+, pro(2)-CαH), 53.8 (+, pro(3)-CαH), 51.9 (+, trp(3)-CαH), 48.1 (–, pro(2)-CδH2), 45.7 (–, pro(3)-CδH2), 44.9 (+, leu(2)-CαH), 38.8 (–, leu(3)-CH2), 38.2 (–, leu(2)-CH2), 32.3 (–, pro(3)-CβH2), 32.2 (–, pro(2)-CβH2), 26.6 (–, trp(2)-CH2), 25.9 (–, trp(3)-CH2), 25.4 (–, trp(3)-CH2), 25.0 (–, trp(2)-CH2), 24.4 (+, leu(3)-CH), 24.0 (+, leu(2)-CH), 22.4 (+, leu(3)-CH3), leu(1)-CH3), 22.1 (+, leu(2)-CH3, leu(3)-CH3), 22.0 (+, leu(2)-CH3), 21.2 (–, pro(3)-CγH2), 21.0 (–, pro(2)-CγH2).