=============================================================================
          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    12.594  17.852 -17.122  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1awvG1 HIS 101 HA     0.00  -0.02   0.10  -0.75   4.63     3.96
1awvG1 HIS 101 HB2    0.00  -0.00   0.13  -0.04   3.26     3.35
1awvG1 HIS 101 HB3    0.00  -0.02   0.06  -0.04   3.20     3.20
1awvG1 HIS 101 HD2    0.00  -0.00   0.01  -0.04   6.97     6.94
1awvG1 HIS 101 HE1    0.00  -0.01  -0.03  -0.04   7.75     7.66
1awvG1 VAL 102 H      0.09   0.14   0.10  -0.55   8.24     8.02
1awvG1 VAL 102 HA    -0.03   0.11   0.68  -0.75   4.13     4.14
1awvG1 VAL 102 HB     0.03  -0.02   0.12  -0.04   2.12     2.21
1awvG1 VAL 102 HG13   0.00  -0.01  -0.08  -0.04   0.97     0.84
1awvG1 VAL 102 HG23   0.06   0.02  -0.02  -0.04   0.95     0.97
1awvG1 GLY 103 H     -0.03   0.17   0.13  -0.55   8.43     8.16
1awvG1 GLY 103 HA2   -0.00   0.01   0.38  -0.51   4.01     3.88
1awvG1 GLY 103 HA3   -0.00   0.12   0.49  -0.51   4.01     4.11
1awvG1 PRO 104 HA    -0.01   0.07   0.69  -0.51   4.44     4.67
1awvG1 PRO 104 HB2   -0.00   0.02  -0.00  -0.04   2.28     2.25
1awvG1 PRO 104 HB3   -0.01   0.04   0.13  -0.04   2.02     2.14
1awvG1 PRO 104 HG2   -0.00   0.04   0.07  -0.04   2.03     2.09
1awvG1 PRO 104 HG3   -0.01   0.04   0.06  -0.04   2.03     2.08
1awvG1 PRO 104 HD2   -0.00   0.12   0.20  -0.04   3.68     3.96
1awvG1 PRO 104 HD3   -0.01   0.09   0.10  -0.04   3.65     3.78
1awvG1 ILE 105 H     -0.01   0.18   0.16  -0.55   8.25     8.04
1awvG1 ILE 105 HA    -0.00   0.21   0.77  -0.75   4.18     4.41
1awvG1 ILE 105 HB    -0.00  -0.13   0.11  -0.04   1.89     1.83
1awvG1 ILE 105 HG12  -0.01  -0.02  -0.05  -0.04   1.49     1.36
1awvG1 ILE 105 HG13  -0.01   0.03  -0.46  -0.04   1.21     0.74
1awvG1 ILE 105 HG23  -0.01   0.04  -0.27  -0.04   0.93     0.65
1awvG1 ILE 105 HD13  -0.01   0.01  -0.05  -0.04   0.88     0.79
1awvG1 ALA 106 H     -0.00   0.16   0.04  -0.55   8.40     8.05
1awvG1 ALA 106 HA    -0.00   0.05   0.19  -0.75   4.34     3.83
1awvG1 ALA 106 HB3   -0.00   0.08   0.06  -0.04   1.41     1.51