Geerdes H A, Hilbers C W
Nucleic Acids Res. 1977 Jan;4(1):207-21. doi: 10.1093/nar/4.1.207.
The ring current effects on the base paired iminoprotons in yeast tRNA-Phe have been calculated from crystal coordinates. The results in conjunction with independently determined intrinsic positions of the iminoprotons in various base pairs enable us to predict the low field NMR spectrum of yeast tRNA-Phe. It turns out that the calculated NMR spectra are very sensitive to slight changes in structure. Moreover the crystal and solution structure are identical as far as the present methods go.
已根据晶体坐标计算了环电流对酵母苯丙氨酸转运核糖核酸中碱基配对亚氨基质子的影响。这些结果与各种碱基对中亚氨基质子的独立确定的固有位置相结合,使我们能够预测酵母苯丙氨酸转运核糖核酸的低场核磁共振谱。结果表明,计算出的核磁共振谱对结构的微小变化非常敏感。此外,就目前的方法而言,晶体结构和溶液结构是相同的。