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. Author manuscript; available in PMC: 2010 Jan 28.
Published in final edited form as: J Am Chem Soc. 2009 Jan 28;131(3):985–992. doi: 10.1021/ja804041p

Table 4.

pscale and poffset determined from structure determinations using distance, CST, TALOS, and VEAN data sets.

Residue Type pscale poffset (ppm)
Alanine −1.21 226.5
Asparagine −0.98 198.0
Aspartic Acid −1.09 212.9
Glutamine −0.89 186.0
Glutamic Acid −1.00 201.3
Glycine −1.00 200.2
Isoleucine −0.81 173.4
Leucine −1.05 208.7
Lysine −1.09 211.9
Phenylalanine −1.04 198.8
Threonine −1.08 215.2
Tryptophan −0.98 199.4
Tyrosine −0.87 181.2
Valine −1.12 217.7