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. Author manuscript; available in PMC: 2014 Jan 24.
Published in final edited form as: J Phys Chem B. 2013 Jan 10;117(3):859–867. doi: 10.1021/jp311116p

Figure 5. Principal components of amide-15N CSA tensor vs isotropic chemical shift.

Figure 5

Panel A shows the variation of all the three principal components (δ11, δ22 and δ33) of CSA tensors determined computationally while in panel B the variation of δ11 and the average of other two components (δ22 and δ33) with isotropic chemical shift is shown. Panel C represents the variation of principal components of CSA tensors with isotropic chemical shift measured experimentally under the assumption of an axially symmetric tensor (δ22 = δ33).