=============================================================================
          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   133.516  88.060  10.140  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3e0mF1 SER  -1 HA     0.10  -0.11   0.22  -0.75   4.49     3.95
3e0mF1 SER  -1 HB2    0.03   0.03  -0.03  -0.04   3.95     3.93
3e0mF1 SER  -1 HB3    0.03  -0.03   0.05  -0.04   3.93     3.94
3e0mF1 HIS   0 H      0.18   0.07   0.07  -0.55   8.41     8.19
3e0mF1 HIS   0 HA     0.00   0.22   0.92  -0.75   4.63     5.02
3e0mF1 HIS   0 HB2    0.00  -0.02   0.05  -0.04   3.26     3.25
3e0mF1 HIS   0 HB3    0.00   0.03   0.12  -0.04   3.20     3.31
3e0mF1 HIS   0 HD2    0.00  -0.02   0.03  -0.04   6.97     6.93
3e0mF1 HIS   0 HE1    0.00   0.01  -0.06  -0.04   7.75     7.65
3e0mF1 MET   1 H      0.06   0.09   0.15  -0.55   8.47     8.21
3e0mF1 MET   1 HA     0.02   0.09   0.50  -0.75   4.52     4.37
3e0mF1 MET   1 HB2    0.03  -0.02   0.07  -0.04   2.15     2.19
3e0mF1 MET   1 HB3    0.01   0.03   0.07  -0.04   2.03     2.09
3e0mF1 MET   1 HG2   -0.02   0.04   0.02  -0.04   2.63     2.64
3e0mF1 MET   1 HG3   -0.03  -0.03   0.12  -0.04   2.56     2.58
3e0mF1 MET   1 HE3   -0.02   0.01   0.01  -0.04   2.10     2.05
3e0mF1 ALA   2 H      0.02   0.25   0.08  -0.55   8.40     8.21
3e0mF1 ALA   2 HA     0.02   0.14   0.37  -0.75   4.34     4.12
3e0mF1 ALA   2 HB3    0.02   0.04  -0.09  -0.04   1.41     1.34