Supplementary material for Ash et al. (2000) Proc. Natl. Acad. Sci. USA 97 (19), 10371-10376.
Table 3.
Constants for peptide anisotropic shielding modelsModel | A, (qy) | B, (qx) | C, (qz) | Group | Origin (x,z)* |
Ösapay & Case (6) | - 13.1 | -- | -- | OCN | - 0.62, - 0.91 |
Herranz et al. (7) | - 27.4 | -- | -- | OCN | - 0.37, - 1.07 |
Herranz et al. (7) | -- | -- | 9.24 | CO | 0.00, - 0.37 |
Williamson & Asakura (8) | - 13.0 | - 4.0 | -- | CO | 0.00, - 0.14 |
Williamson & Asakura (8) | - 11.0 | 1.4 | -- | CN | - 0.55, - 1.60 |
*Measured from the O atom, assuming bond lengths C=O of 1.24 Å, C-N of 1.325 Å, and OCN angle of 123.5o [Dickerson & Geis (11)].