Von Dreele P H, Brewster A I, Bovey F A, Scheraga H A, Ferger M F, Du Vigneaud V
Proc Natl Acad Sci U S A. 1971 Dec;68(12):3088-91. doi: 10.1073/pnas.68.12.3088.
The 220-MHz proton NMR spectra of lysine-vasopressin and some related compounds are examined in deuterated dimethyl sulfoxide to obtain structural information that must be satisfied by any proposed conformation of the molecule. This structural information is in the form of dihedral angles (for rotation about the NH-C(alpha)H bonds) from coupling constants, possible hydrogen bonding of the CONH(2) and backbone amide groups from the temperature-dependence of the chemical shift, and aromatic ring-aromatic ring interaction from the effect of the magnetically anisotropic groups on the chemical shift.
在氘代二甲基亚砜中研究了赖氨酸加压素及一些相关化合物的220兆赫质子核磁共振谱,以获取分子任何提议构象都必须满足的结构信息。该结构信息包括通过耦合常数得到的二面角(关于NH-CαH键的旋转)、通过化学位移的温度依赖性得到的CONH₂和主链酰胺基团可能的氢键作用,以及通过磁各向异性基团对化学位移的影响得到的芳环-芳环相互作用。