Dear gmx users:
I would like to calculate chemical shift using g_chi ,but the result has
only :
*** Chemical shifts from the chemical shift index ***
++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
D. S. Wishart and A. M. Nip
Protein Chemical Shift Analysis: A Practical Guide
Biochem. Cell Biol. 76 (1998) pp. 153-163
-------- -------- --- Thank You --- -------- --------
Residue delta Ca delta Ha delta CO delta Cb
HIS2 -0.699235 0.129631 -0.964556 0.626928
Residue HIS2
Angle [ AI, AJ, AK, AL] #tr/ns S^2D
--------------------------------------------
Phi [ 8, 7, 9, 22] 48.15 0.77
Psi [ 7, 9, 22, 23] 37.80 0.13
what I want is chemical shift of atom N. How could I get it ?
Best wishes!
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