TABLE 5.

NMR data for fraction 8, recorded in CD3OD at 400 (1H) and 100 (13C) MHz at 25°C

ResidueAtomδ13Caδ1H, mult., J (in Hz)a,b
LEU-15C=O/NH176.348.91, bs
α54.243.93, m
β40.111.73, m
1.73, m
γ25.851.69, m
δ123.460.99, p.n.
δ222.460.95, p.n.
GLU-2C=O/NH177.029.19, bs
α57.504.17, m
β27.222.07, m
γND2.47, m
δNDND
THR-3C=O/NH175.088.33, d, 7.5
α61.934.17, m
β70.645.45, dq, 11.0, 6.0
γ18.551.37, d, 6.0
ILE-4C=O/NH174.757.69, d, 6.0
α64.383.60, d, 11.2c
β36.372.01, m
γ126.661.53, m
1.13, m
γ216.960.98, p.n.
δ10.940.95, p.n.
LEU-5C=O/NH173.848.51, d, 6.5
α53.923.80, m
β37.662.03, m
1.68, m
γ25.781.64, m
δ124.070.94, p.n.
δ221.40.89, p.n.
SER 6C=O/NH173.617.55, d, 7.4
α57.554.42, dd, 3.5, 2.5c
β64.424.19, dd, 12, 3.5
3.95, dd, 12, 2.5
LEU-7C=O/NH175.267.64, d, 6.5
α55.004.33, dd, 10.4, 3.6c
β41.972.02, m
1.63, m
γ25.681.63, m
δ123.611.00, p.n.
δ221.40.93, p.n.
SER-8C=O/NH172.998.29, d, 8.5
α57.664.51, dd, 4.8, 3.5c
β63.013.99, dd, 11.5, 4.8
3.75, dd, 11.5, 3.5
ILE-9C=O/NH170.007.06, d, 9.8
α57.664.61, m
β37.462.02, m
γ125.542.0, m
1.23, m
γ216.190.88, p.n.
δ12.340.89, p.n.
FA1175.12
244.702.43, m
369.984.11, m
438.481.56, m
526.741.31, m
630.691.31, m
730.451.31, m
833.001.29, m
923.741.31, m
1014.470.90, p.n.
  • a In parts per million; ND, not detectable see the text.

  • b p.n., peak splitting not assigned due to overlap; bs, broad singlet; multi, multiplet.

  • c Coupling with NH not detectable due to exchange of most of the NH protons.