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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