Accurate random coil chemical shifts from an analysis of loop regions in native states of proteins.

نویسندگان

  • Alfonso De Simone
  • Andrea Cavalli
  • Shang-Te Danny Hsu
  • Wim Vranken
  • Michele Vendruscolo
چکیده

We present a method for calculating accurate random coil chemical shift values of proteins. These values are obtained by analyzing the relationship between the amino acid sequences in flexible loop regions of native states and the corresponding experimentally measured chemical shifts. We estimate the errors in the random coil chemical shift scales to be 0.31 ppm for (13)C(alpha), 0.37 ppm for (13)C(beta), 0.31 ppm for (13)CO, 0.68 ppm for (15)N, 0.09 ppm for (1)H, and 0.04 ppm for (1)H(alpha).

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عنوان ژورنال:
  • Journal of the American Chemical Society

دوره 131 45  شماره 

صفحات  -

تاریخ انتشار 2009