Measurement of J and dipolar couplings from simplified two-dimensional NMR spectra

Measurement of J and dipolar couplings from simplified two-dimensional NMR spectra
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DOI:
10.1006/jmre.1998.1361
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发表时间:
1998-04-01
影响因子:
2.2
通讯作者:
Bax, A
Bax, A
中科院分区:
化学3区
文献类型:
--
作者:
Ottiger, M;Delaglio, F;Bax, A

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简单的程序,用于记录互补的相位和反相J-耦合NMR谱。这些光谱的和与差仅包含双重线的维持分量和低场分量,使得可以直接从这些组合测量J分裂,而不会增加相对于去耦光谱的共振重叠。该方法被证明用于测量(1)J(NH)分裂和(2)J(HNC ')分裂在定向和各向同性的泛素。偶极耦合从定向和各向同性相测量的分裂的差异获得的是在良好的协议与偶极耦合从分裂的直接测量或从传统的E. COSY型测量。
Simple procedures are described for recording complementary in-phase and antiphase J-coupled NMR spectra. The sum and difference of these spectra contain only the upheld and the downfield components of a doublet, making it possible to measure the J splitting directly from these combinations without an increase in resonance overlap relative to the decoupled spectrum. The approach is demonstrated for measurement of (1)J(NH) splittings and (2)J(HNC') splittings in oriented and isotropic ubiquitin. Dipolar couplings obtained from differences in the splittings measured in the oriented and isotropic phases are in excellent agreement with dipolar couplings obtained from direct measurement of the splitting or from a conventional E.COSY-type measurement.