=============================================================================
          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     0.703   2.582   9.904  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1hivI1 HIS   2 HA     0.00  -0.00   0.02  -0.75   4.63     3.89
1hivI1 HIS   2 HB2    0.00  -0.01   0.02  -0.04   3.26     3.23
1hivI1 HIS   2 HB3    0.00   0.01   0.01  -0.04   3.20     3.18
1hivI1 HIS   2 HD2    0.00   0.00   0.00  -0.04   6.97     6.93
1hivI1 HIS   2 HE1    0.00  -0.01   0.00  -0.04   7.75     7.70
1hivI1 ILE   4 HA     0.01   0.02   0.08  -0.75   4.18     3.53
1hivI1 ILE   4 HB     0.00  -0.01   0.02  -0.04   1.89     1.86
1hivI1 ILE   4 HG12   0.00  -0.00  -0.03  -0.04   1.49     1.42
1hivI1 ILE   4 HG13   0.00  -0.01  -0.02  -0.04   1.21     1.14
1hivI1 ILE   4 HG23   0.00  -0.00   0.00  -0.04   0.93     0.89
1hivI1 ILE   4 HD13   0.01   0.01  -0.15  -0.04   0.88     0.70