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. Author manuscript; available in PMC: 2010 Jul 8.
Published in final edited form as: Biochemistry. 2008 Jun 24;47(25):6531–6538. doi: 10.1021/bi800362b

Table 2.

Root-Mean-Square Deviations between Experimental and Calculated Values of the Dipolar Coupling (DC), Chemical Shift Anisotropy (CSA), and Combined DC and CSA (TOT), Obtained for Each of the Six Test Assignments of F90, F107, and F148, shown in Figure 3, and for the Final Assignment for All Phe Peaks in Figure 1D

test assignment DC rmsda CSAc rmsdb total rmsd
A 0.019 0.028 0.023
B 0.075 0.136 0.106
C 0.019 0.259 0.139
D 0.218 0.239 0.229
E 0.254 0.288 0.271
F 0.220 0.195 0.208
final (Figure 1D) 0.015 0.028 0.021
a

Scaled by the frequency range of 20 kHz.

b

Scaled by the frequency range of 150 ppm.

c

CSA = δbicelle − 125 ppm.