=============================================================================
          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    54.190   7.769  32.301  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2iwbB1 GLY   1 HA2    0.03  -0.02   0.14  -0.51   4.01     3.65
2iwbB1 GLY   1 HA3    0.04   0.01   0.16  -0.51   4.01     3.72
2iwbB1 HIS   2 H      0.31   0.23   0.06  -0.55   8.41     8.47
2iwbB1 HIS   2 HA     0.00   0.11   0.38  -0.75   4.63     4.36
2iwbB1 HIS   2 HB2    0.00   0.00   0.09  -0.04   3.26     3.31
2iwbB1 HIS   2 HB3    0.00   0.02   0.07  -0.04   3.20     3.25
2iwbB1 HIS   2 HD2    0.00   0.00  -0.11  -0.04   6.97     6.82
2iwbB1 HIS   2 HE1    0.00   0.02  -0.10  -0.04   7.75     7.62
2iwbB1 MET   3 H     -0.21   0.09  -0.44  -0.55   8.47     7.37
2iwbB1 MET   3 HA    -0.19   0.01   0.28  -0.75   4.52     3.88
2iwbB1 MET   3 HB2   -0.11   0.28   0.18  -0.04   2.15     2.46
2iwbB1 MET   3 HB3   -0.12  -0.05   0.09  -0.04   2.03     1.90
2iwbB1 MET   3 HG2   -0.05   0.00  -0.02  -0.04   2.63     2.52
2iwbB1 MET   3 HG3   -0.07  -0.04  -0.00  -0.04   2.56     2.41
2iwbB1 MET   3 HE3   -0.02   0.01  -0.11  -0.04   2.10     1.93
2iwbB1 SER   4 H     -0.27   0.56  -0.11  -0.55   8.46     8.08
2iwbB1 SER   4 HA    -0.10   0.04   0.07  -0.75   4.49     3.75
2iwbB1 SER   4 HB2   -0.13   0.12   0.05  -0.04   3.95     3.95
2iwbB1 SER   4 HB3   -0.03  -0.04   0.09  -0.04   3.93     3.91