MAGNETIC SUSCEPTIBILITY TENSORS OF PEPTIDES AND PROTEINS

具有各向异性磁化率的分子略 当放置在强磁场中时，在溶液中排列。这个 对齐程度可以通过测量 高分辨核磁共振谱中的分裂 各向异性核相互作用，如电四极 分裂或磁偶极子分裂。磁力 分子的磁化率张量然后可以从 对齐的程度。我们建议衡量 多种含原子分子的磁化率张量 出现在多肽和蛋白质中的分组，并汇编一组 可以用来预测磁化率的群张量 给定构象中任何多肽的张量。布景将会是 针对已知构象的多肽进行测试，然后将 应用于测试假设结构的正确性 构象不确定的多肽或蛋白质。

Molecules with anisotropic magnetic susceptibilities are slightly aligned in solution when placed in a strong magnetic field. The degree of alignment can be determined by measuring the splittings in the high resolution NMR spectrum resulting from anisotropic nuclear interactions, such as electric quadrupole splittings or magnetic dipole splittings. The magnetic susceptibility tensor of the molecules can then be deduced from the degree of alignment. We propose to measure the susceptibility tensors for a variety of molecules containing atomic groupings occurring in peptides and proteins, and to compile a set of group tensors which can be added to predict the susceptibility tensor for any peptide in a given conformation. The set will be tested against peptides of known conformation and will then be applied to test the correctness of hypothesized structures for peptides or proteins of uncertain conformation.