=============================================================================
          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    -2.028  16.679   7.218  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3fvhB1 LEU   2 H     -0.16   0.12   0.08  -0.55   8.37     7.86
3fvhB1 LEU   2 HA    -0.04  -0.06   0.14  -0.75   4.35     3.64
3fvhB1 LEU   2 HB2    0.02  -0.01   0.00  -0.04   1.64     1.61
3fvhB1 LEU   2 HB3    0.02  -0.03   0.14  -0.04   1.64     1.72
3fvhB1 LEU   2 HG    -0.03   0.00   0.04  -0.04   1.64     1.61
3fvhB1 LEU   2 HD13   0.01  -0.01   0.02  -0.04   0.93     0.91
3fvhB1 LEU   2 HD23  -0.01  -0.00   0.03  -0.04   0.89     0.86
3fvhB1 HIS   3 H     -0.35   0.34   0.17  -0.55   8.41     8.02
3fvhB1 HIS   3 HA     0.00   0.05   0.56  -0.75   4.63     4.49
3fvhB1 HIS   3 HB2    0.00  -0.02   0.10  -0.04   3.26     3.30
3fvhB1 HIS   3 HB3    0.00   0.06  -0.09  -0.04   3.20     3.12
3fvhB1 HIS   3 HD2    0.00  -0.04  -0.12  -0.04   6.97     6.76
3fvhB1 HIS   3 HE1    0.00   0.02  -0.04  -0.04   7.75     7.69
3fvhB1 SER   4 H      0.12   0.07   0.08  -0.55   8.46     8.17
3fvhB1 SER   4 HA     0.05   0.14   0.41  -0.75   4.49     4.33
3fvhB1 SER   4 HB2    0.04   0.05   0.10  -0.04   3.95     4.09
3fvhB1 SER   4 HB3    0.04  -0.01   0.08  -0.04   3.93     4.00
3fvhB1 ALA   6 HA    -0.01  -0.01  -0.23  -0.75   4.34     3.34
3fvhB1 ALA   6 HB3   -0.02   0.01   0.12  -0.04   1.41     1.47