=============================================================================
          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  1     0.900    52.224  50.257 -14.207  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1awtJ1 HIS 101 HA     0.00  -0.11   0.22  -0.75   4.63     3.99
1awtJ1 HIS 101 HB2    0.00  -0.04   0.05  -0.04   3.26     3.23
1awtJ1 HIS 101 HB3    0.00   0.03  -0.09  -0.04   3.20     3.10
1awtJ1 HIS 101 HD2    0.00  -0.02  -0.00  -0.04   6.97     6.91
1awtJ1 HIS 101 HE1    0.00  -0.02   0.03  -0.04   7.75     7.71
1awtJ1 ALA 102 H      0.30   0.05   0.10  -0.55   8.40     8.30
1awtJ1 ALA 102 HA     0.03   0.24   0.93  -0.75   4.34     4.79
1awtJ1 ALA 102 HB3    0.05  -0.03   0.05  -0.04   1.41     1.44
1awtJ1 GLY 103 H     -0.01   0.05   0.10  -0.55   8.43     8.04
1awtJ1 GLY 103 HA2   -0.02  -0.02   0.39  -0.51   4.01     3.85
1awtJ1 GLY 103 HA3   -0.05   0.22   0.85  -0.51   4.01     4.52
1awtJ1 PRO 104 HA    -0.02   0.08   0.55  -0.51   4.44     4.55
1awtJ1 PRO 104 HB2   -0.01   0.06   0.02  -0.04   2.28     2.31
1awtJ1 PRO 104 HB3   -0.01   0.01   0.10  -0.04   2.02     2.08
1awtJ1 PRO 104 HG2   -0.02   0.03   0.01  -0.04   2.03     2.01
1awtJ1 PRO 104 HG3   -0.01   0.03   0.05  -0.04   2.03     2.06
1awtJ1 PRO 104 HD2   -0.02   0.11   0.23  -0.04   3.68     3.96
1awtJ1 PRO 104 HD3   -0.01   0.09   0.17  -0.04   3.65     3.85
1awtJ1 ILE 105 H     -0.02   0.19   0.19  -0.55   8.25     8.06
1awtJ1 ILE 105 HA    -0.02   0.18   0.80  -0.75   4.18     4.38
1awtJ1 ILE 105 HB    -0.02  -0.06   0.00  -0.04   1.89     1.77
1awtJ1 ILE 105 HG12  -0.02   0.07  -0.04  -0.04   1.49     1.46
1awtJ1 ILE 105 HG13  -0.02  -0.07   0.08  -0.04   1.21     1.16
1awtJ1 ILE 105 HG23  -0.03   0.04  -0.11  -0.04   0.93     0.78
1awtJ1 ILE 105 HD13  -0.01  -0.00  -0.03  -0.04   0.88     0.80
1awtJ1 ALA 106 H     -0.01   0.16   0.03  -0.55   8.40     8.03
1awtJ1 ALA 106 HA    -0.01   0.24   0.67  -0.75   4.34     4.48
1awtJ1 ALA 106 HB3   -0.01   0.02  -0.00  -0.04   1.41     1.38