=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       PHE  1     1.000    12.714  71.107  78.439  -99.200  -91.000

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        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
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