=============================================================================
          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    59.287  56.363  39.907  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3e0mG1 SER  -1 HA     0.09  -0.06   0.14  -0.75   4.49     3.91
3e0mG1 SER  -1 HB2    0.03  -0.02   0.05  -0.04   3.95     3.97
3e0mG1 SER  -1 HB3    0.03   0.07  -0.03  -0.04   3.93     3.96
3e0mG1 HIS   0 H      0.17   0.05   0.07  -0.55   8.41     8.15
3e0mG1 HIS   0 HA     0.00   0.21   0.87  -0.75   4.63     4.95
3e0mG1 HIS   0 HB2    0.00  -0.05   0.07  -0.04   3.26     3.25
3e0mG1 HIS   0 HB3    0.00   0.12   0.04  -0.04   3.20     3.32
3e0mG1 HIS   0 HD2    0.00   0.00   0.05  -0.04   6.97     6.97
3e0mG1 HIS   0 HE1    0.00  -0.00  -0.04  -0.04   7.75     7.66
3e0mG1 MET   1 H      0.01   0.09   0.16  -0.55   8.47     8.18
3e0mG1 MET   1 HA     0.01   0.12   0.57  -0.75   4.52     4.46
3e0mG1 MET   1 HB2    0.02  -0.03   0.08  -0.04   2.15     2.18
3e0mG1 MET   1 HB3    0.01   0.02   0.04  -0.04   2.03     2.06
3e0mG1 MET   1 HG2   -0.03   0.05   0.01  -0.04   2.63     2.62
3e0mG1 MET   1 HG3   -0.06  -0.02   0.08  -0.04   2.56     2.51
3e0mG1 MET   1 HE3   -0.03   0.01   0.01  -0.04   2.10     2.04
3e0mG1 ALA   2 H      0.02   0.29   0.07  -0.55   8.40     8.23
3e0mG1 ALA   2 HA     0.03   0.19   0.54  -0.75   4.34     4.34
3e0mG1 ALA   2 HB3    0.02   0.03  -0.09  -0.04   1.41     1.34