=============================================================================
          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  2     0.900    -4.886 -18.717  11.742  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2v5wI1 ARG   2 HA     0.10  -0.09   0.20  -0.75   4.34     3.80
2v5wI1 ARG   2 HB2    0.03  -0.02   0.04  -0.04   1.90     1.91
2v5wI1 ARG   2 HB3    0.02  -0.02  -0.00  -0.04   1.80     1.76
2v5wI1 ARG   2 HG2    0.04   0.04  -0.14  -0.04   1.67     1.56
2v5wI1 ARG   2 HG3    0.04  -0.01   0.02  -0.04   1.67     1.67
2v5wI1 ARG   2 HD2    0.01  -0.02  -0.02  -0.04   3.22     3.15
2v5wI1 ARG   2 HD3    0.02   0.00  -0.03  -0.04   3.22     3.17
2v5wI1 HIS   3 H      0.17   0.18   0.00  -0.55   8.41     8.21
2v5wI1 HIS   3 HA     0.00   0.23   0.63  -0.75   4.63     4.74
2v5wI1 HIS   3 HB2    0.00  -0.02   0.05  -0.04   3.26     3.26
2v5wI1 HIS   3 HB3    0.00  -0.00   0.06  -0.04   3.20     3.21
2v5wI1 HIS   3 HD2    0.00   0.01  -0.50  -0.04   6.97     6.44
2v5wI1 HIS   3 HE1    0.00  -0.02  -0.02  -0.04   7.75     7.66