A new program for automatic resonance assignment of nuclear magnetic Ž . Ž resonance NMR spectra of proteins, GARANT General Algorithm for . Resonance AssignmeNT , is introduced. Three principal elements used in this Ž . approach are: a representation of resonance assignments as an optimal match of
Electron Nuclear Quadruple Resonance for Assignment of Overlapping Spectra
✍ Scribed by Michael K Bowman; Alexei M Tyryshkin
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 129 KB
- Volume
- 144
- Category
- Article
- ISSN
- 1090-7807
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✦ Synopsis
Multiple resonance methods are important tools in EPR for revealing the network of hyperfine levels of free radicals and paramagnetic centers. The variations of electron nuclear double resonance (ENDOR) or electron spin-echo envelope modulation (ESEEM) techniques help to correlate nuclear frequencies with each other. These methods have limited utility when there is extensive overlap or suspected overlap in the EPR spectrum between different species or different orientations. In the ENDOR spectrum, overlap and second-order shifts of lines also leads to ambiguity in assignment and interpretation. A new electron nuclear multiple resonance method is presented here that is based on population transfer ENDOR. It is a quadruple resonance method that correlates ENDOR lines and reveals the network of hyperfine levels in samples with unoriented paramagnetic species and in samples with overlapping EPR or ENDOR lines.
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