=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       PHE  1     1.000     7.642  27.828  20.299  -99.200  -91.000
       HIS  2     0.900    -0.560  31.619  15.315  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1entI1 PHE   2 HA     0.04  -0.07   0.18  -0.75   4.62     4.02
1entI1 PHE   2 HB2    0.02   0.00  -0.00  -0.04   3.15     3.12
1entI1 PHE   2 HB3    0.03  -0.06  -0.06  -0.04   3.06     2.94
1entI1 PHE   2 HD2    0.02  -0.00   0.02  -0.04   7.28     7.27
1entI1 PHE   2 HE2    0.01   0.00   0.01  -0.04   7.38     7.36
1entI1 PHE   2 HZ     0.01   0.00   0.01  -0.04   7.32     7.30
1entI1 HIS   3 H      0.17   0.12   0.00  -0.55   8.41     8.16
1entI1 HIS   3 HA     0.06   0.21   0.53  -0.75   4.63     4.68
1entI1 HIS   3 HB2    0.01   0.06  -0.20  -0.04   3.26     3.10
1entI1 HIS   3 HB3    0.01  -0.02   0.03  -0.04   3.20     3.18
1entI1 HIS   3 HD2    0.00  -0.00  -0.01  -0.04   6.97     6.91
1entI1 HIS   3 HE1    0.01  -0.01   0.02  -0.04   7.75     7.72