=============================================================================
          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   159.075  66.320  37.631  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3e0mE1 SER  -1 HA    -0.06  -0.04   0.20  -0.75   4.49     3.84
3e0mE1 SER  -1 HB2    0.01  -0.01   0.06  -0.04   3.95     3.97
3e0mE1 SER  -1 HB3    0.06  -0.10   0.10  -0.04   3.93     3.95
3e0mE1 HIS   0 H      0.09   0.15   0.09  -0.55   8.41     8.19
3e0mE1 HIS   0 HA     0.00   0.17   0.94  -0.75   4.63     4.99
3e0mE1 HIS   0 HB2    0.00  -0.03   0.03  -0.04   3.26     3.22
3e0mE1 HIS   0 HB3    0.00   0.08  -0.03  -0.04   3.20     3.20
3e0mE1 HIS   0 HD2    0.00  -0.03  -0.11  -0.04   6.97     6.79
3e0mE1 HIS   0 HE1    0.00  -0.02   0.01  -0.04   7.75     7.70
3e0mE1 MET   1 H      0.13   0.10   0.13  -0.55   8.47     8.28
3e0mE1 MET   1 HA     0.03   0.08   0.47  -0.75   4.52     4.35
3e0mE1 MET   1 HB2    0.06  -0.03   0.15  -0.04   2.15     2.29
3e0mE1 MET   1 HB3    0.03   0.01   0.01  -0.04   2.03     2.04
3e0mE1 MET   1 HG2    0.02   0.04   0.02  -0.04   2.63     2.67
3e0mE1 MET   1 HG3    0.04  -0.02   0.11  -0.04   2.56     2.65
3e0mE1 MET   1 HE3    0.01   0.00   0.00  -0.04   2.10     2.07
3e0mE1 ALA   2 H      0.03   0.28   0.27  -0.55   8.40     8.43
3e0mE1 ALA   2 HA     0.02   0.07   0.82  -0.75   4.34     4.50
3e0mE1 ALA   2 HB3    0.02   0.02   0.00  -0.04   1.41     1.41
3e0mE1 GLU   3 H      0.01   0.09   0.10  -0.55   8.60     8.25
3e0mE1 GLU   3 HA     0.01   0.16   0.73  -0.75   4.29     4.44
3e0mE1 GLU   3 HB2    0.01  -0.03   0.16  -0.04   2.09     2.18
3e0mE1 GLU   3 HB3    0.01  -0.01   0.06  -0.04   1.99     2.01
3e0mE1 GLU   3 HG2    0.00  -0.05  -0.05  -0.04   2.34     2.20
3e0mE1 GLU   3 HG3    0.00   0.16  -0.30  -0.04   2.34     2.16
3e0mE1 ILE   4 H      0.00   0.14   0.05  -0.55   8.25     7.89
3e0mE1 ILE   4 HA     0.00   0.29   0.66  -0.75   4.18     4.38
3e0mE1 ILE   4 HB     0.00   0.04   0.06  -0.04   1.89     1.95
3e0mE1 ILE   4 HG12   0.00  -0.03   0.09  -0.04   1.49     1.51
3e0mE1 ILE   4 HG13   0.00   0.01   0.06  -0.04   1.21     1.25
3e0mE1 ILE   4 HG23   0.00   0.01  -0.07  -0.04   0.93     0.84
3e0mE1 ILE   4 HD13   0.00   0.01   0.02  -0.04   0.88     0.87