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Processing of multi-dimensional NMR data with the new software PROSA

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Summary

The new program PROSA is an efficient implementation of the common data-processing steps for multi-dimensional NMR spectra. PROSA performs linear prediction, digital filtering, Fourier transformation, automatic phase correction, and baseline correction. High efficiency is achieved by avoiding disk storage of intermediate data and by the absence of any graphics display, which enables calculation in the batch mode and facilitates porting PROSA on a variety of different computer systems; including supercomputers. Furthermore, all time-consuming routines are completely vectorized. The elimination of a graphics display was made possible by the use of a new, reliable automatic phase-correction routine. CPU times for complete processing of a typical heteronuclear three-dimensional NMR data set of a protein vary between less than 1 min on a NEC SX3 supercomputer and 40 min on a Sun-4 computer system.

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Abbreviations

1D:

one-dimensional

2D:

two-dimensional

3D:

three-dimensional

4D:

four-dimensional

NOESY:

nuclear Overhauser enhancement spectroscopy

TOCSY:

total correlation spectroscopy

TPPI:

time-proportional phase incrementation

u-13C:

uniformly13C-labeled

References

  • Barkhuijsen, H., De Beer, R. and van Ormondt, D. (1987)J. Magn. Reson.,73, 553–557.

    Google Scholar 

  • Bax, A., Clore, G.M. and Gronenborn, A.M. (1990)J. Magn. Reson.,88, 425–431.

    Google Scholar 

  • Bax, A., Ikura, M., Kay, L.E. and Zhu, G. (1991)J. Magn. Reson.,91, 174–178.

    Google Scholar 

  • Brown, D.E., Campbell, T.W. and Moore, R.N. (1989)J. Magn. Reson.,85, 15–23.

    Google Scholar 

  • Bruker Analytische Messtechnik GmbH (1991)UXNMR. Messen und Verarbeiten von NMR Daten, Rheinstetten, Germany.

    Google Scholar 

  • Cieslar, C., Clore, G.M. and Gronenborn, A.M. (1988)J. Magn. Reson.,79, 154–157.

    Google Scholar 

  • Clore, G.M. and Gronenborn, A.M. (1991)Prog. NMR Spectrosc.,23, 43–92.

    Google Scholar 

  • Clore, G.M., Kay, L.E., Bax, A. and Gronenborn, A.M. (1991)Biochemistry,30, 12–18.

    PubMed  Google Scholar 

  • DeMarco, A. and Wüthrich, K. (1976)J. Magn. Reson.,24, 201–204.

    Google Scholar 

  • Dietrich, W., Rüdel, C.H. and Neumann, M. (1991)J. Magn. Reson.,91, 1–11.

    Google Scholar 

  • Eccles, C., Güntert, P., Billeter, M. and Wüthrich, K. (1991)J. Biomol. NMR,1, 111–130.

    PubMed  Google Scholar 

  • Ernst, R. R. (1969)J. Magn. Reson.,1, 7–26.

    Google Scholar 

  • Ernst, R. R., Bodenhausen, G. and Wokaun, A. (1987)Principles of Nuclear Magnetic Resonance in One and Two Dimensions, Clarendon Press, Oxford.

    Google Scholar 

  • Fesik, S.W. and Zuiderweg, E.R.P. (1990)Quart. Rev. Biophys.,23, 97–131.

    Google Scholar 

  • Gladden, L.F. and Elliott, S.R. (1986)J. Magn. Reson.,68 383–388.

    Google Scholar 

  • Güntert, P. and Wüthrich, K. (1992)J. Magn. Reson.,96, 403–407.

    Google Scholar 

  • Hare Research Inc. (1991)FELIX User Documentation. Version 2.0, Woodinville, WA, U.S.A.

  • Heuer, A. (1991)J. Magn. Reson.,91, 241–253.

    Google Scholar 

  • Hoffman, R.E., Delaglio, F. and Levy, G.C. (1992)J. Magn. Reson.,98, 231–237.

    Google Scholar 

  • Kay, L.E., Ikura, M., Tschudin, R. and Bax, A. (1990)J. Magn. Reson.,89, 496–514.

    Google Scholar 

  • Kumaresan, R. and Tufts, D.W. (1982)IEEE Trans. Acoust. Speech Signal Process.,30, 833–840.

    Google Scholar 

  • Marion, D. and Bax, A. (1989)J. Magn. Reson.,83, 205–211.

    Google Scholar 

  • Marion, D., Ikura, M., Tschudin, R. and Bax, A. (1989)J. Magn. Reson.,85, 393–399.

    Google Scholar 

  • Marshall, A.G. and Roe, D.C. (1978)Anal. Chem.,50, 756–763.

    Google Scholar 

  • Neff, B.L., Ackerman, J.L. and Waugh, J.S. (1977)J. Magn. Reson.,25, 335–340.

    Google Scholar 

  • Nelson, S.J. and Brown, T.R. (1989)J. Magn. Reson.,84, 95–109.

    Google Scholar 

  • Olejniczak, E.T. and Eaton, H.L. (1990)J. Magn. Reson.,87, 628–632.

    Google Scholar 

  • Otting, G., Widmer, H., Wagner, G. and Wüthrich, K. (1986)J. Magn. Reson.,66, 187–193.

    Google Scholar 

  • Pearson, G.A. (1977)J. Magn. Reson.,27, 265–272.

    Google Scholar 

  • Press, W.H., Flannery, B.P., Teukolsky, S.A. and Vetterling, W.T. (1986)Numerical Recipes: The Art of Scientific Computing, Cambridge University, Press, Cambridge.

    Google Scholar 

  • Stephenson, D.S. (1988)Prog. NMR Spectrosc.,20, 515–626.

    Google Scholar 

  • TRIPOS Associates, Inc. (1992) SYBYL/NMR TRIAD, St. Louis, MG, U.S.A.

  • Wüthrich, K. (1986)NMR of Proteins and Nucleic Acids, Wiley, New York.

    Google Scholar 

  • Wüthrich, K. (1990)J. Biol. Chem.,265, 22059–22062.

    PubMed  Google Scholar 

  • Zhu, G. and Bax, A. (1990)J. Magn. Reson.,90, 405–410.

    Google Scholar 

  • Zuiderweg, E.R.P., Petros, A.M., Fesik, S.W. and Olejniczak, E.T. (1991)J. Am. Chem. Soc.,113, 370–372.

    Google Scholar 

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Güntert, P., Dötsch, V., Wider, G. et al. Processing of multi-dimensional NMR data with the new software PROSA. J Biomol NMR 2, 619–629 (1992). https://doi.org/10.1007/BF02192850

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