=============================================================================
          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.
       HIS  1     0.900     2.558  13.260  14.998  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1ivpI1 HIS   2 HA     0.00  -0.00   0.02  -0.75   4.63     3.89
1ivpI1 HIS   2 HB2    0.00  -0.00   0.02  -0.04   3.26     3.24
1ivpI1 HIS   2 HB3    0.00   0.01   0.01  -0.04   3.20     3.17
1ivpI1 HIS   2 HD2    0.00   0.00   0.00  -0.04   6.97     6.93
1ivpI1 HIS   2 HE1    0.00  -0.01   0.00  -0.04   7.75     7.70
1ivpI1 ILE   4 HA     0.01   0.01   0.06  -0.75   4.18     3.50
1ivpI1 ILE   4 HB     0.01   0.01  -0.01  -0.04   1.89     1.86
1ivpI1 ILE   4 HG12   0.00  -0.00   0.00  -0.04   1.49     1.45
1ivpI1 ILE   4 HG13   0.00  -0.01   0.01  -0.04   1.21     1.17
1ivpI1 ILE   4 HG23   0.01  -0.00  -0.02  -0.04   0.93     0.88
1ivpI1 ILE   4 HD13   0.00  -0.00   0.01  -0.04   0.88     0.85