=============================================================================
          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    40.654  -8.068 -21.476  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3ewfI1 ARG   2 HA    -0.18  -0.11   0.19  -0.75   4.34     3.49
3ewfI1 ARG   2 HB2   -0.05  -0.03   0.04  -0.04   1.90     1.83
3ewfI1 ARG   2 HB3   -0.02  -0.00  -0.01  -0.04   1.80     1.73
3ewfI1 ARG   2 HG2   -0.02   0.16  -0.12  -0.04   1.67     1.65
3ewfI1 ARG   2 HG3   -0.06  -0.07   0.03  -0.04   1.67     1.53
3ewfI1 ARG   2 HD2   -0.01   0.00  -0.03  -0.04   3.22     3.14
3ewfI1 ARG   2 HD3   -0.02  -0.01  -0.02  -0.04   3.22     3.14
3ewfI1 HIS   3 H     -0.19   0.04   0.00  -0.55   8.41     7.71
3ewfI1 HIS   3 HA     0.00   0.19   0.36  -0.75   4.63     4.43
3ewfI1 HIS   3 HB2    0.00  -0.01   0.08  -0.04   3.26     3.30
3ewfI1 HIS   3 HB3    0.00   0.02   0.07  -0.04   3.20     3.24
3ewfI1 HIS   3 HD2    0.00  -0.01   0.02  -0.04   6.97     6.94
3ewfI1 HIS   3 HE1    0.00   0.01  -0.04  -0.04   7.75     7.68