=============================================================================
          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    15.289  13.948 112.324  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1awvH1 HIS 101 HA     0.00  -0.07   0.19  -0.75   4.63     3.99
1awvH1 HIS 101 HB2    0.00  -0.04   0.03  -0.04   3.26     3.22
1awvH1 HIS 101 HB3    0.00   0.05  -0.13  -0.04   3.20     3.07
1awvH1 HIS 101 HD2    0.00  -0.01   0.01  -0.04   6.97     6.92
1awvH1 HIS 101 HE1    0.00  -0.01   0.04  -0.04   7.75     7.73
1awvH1 VAL 102 H     -0.08   0.13   0.14  -0.55   8.24     7.87
1awvH1 VAL 102 HA    -0.01   0.21   0.92  -0.75   4.13     4.51
1awvH1 VAL 102 HB    -0.02  -0.05   0.05  -0.04   2.12     2.06
1awvH1 VAL 102 HG13   0.04   0.00  -0.16  -0.04   0.97     0.80
1awvH1 VAL 102 HG23   0.00  -0.01  -0.02  -0.04   0.95     0.88
1awvH1 GLY 103 H     -0.04   0.07   0.06  -0.55   8.43     7.97
1awvH1 GLY 103 HA2   -0.05  -0.00   0.40  -0.51   4.01     3.85
1awvH1 GLY 103 HA3   -0.09   0.22   0.90  -0.51   4.01     4.53
1awvH1 PRO 104 HA    -0.02   0.04   0.50  -0.51   4.44     4.45
1awvH1 PRO 104 HB2   -0.01   0.11   0.06  -0.04   2.28     2.40
1awvH1 PRO 104 HB3   -0.01  -0.01   0.13  -0.04   2.02     2.09
1awvH1 PRO 104 HG2   -0.02   0.05   0.07  -0.04   2.03     2.08
1awvH1 PRO 104 HG3   -0.01   0.03   0.08  -0.04   2.03     2.08
1awvH1 PRO 104 HD2   -0.03   0.10   0.23  -0.04   3.68     3.93
1awvH1 PRO 104 HD3   -0.02   0.08   0.18  -0.04   3.65     3.85
1awvH1 ILE 105 H     -0.01   0.09   0.14  -0.55   8.25     7.92
1awvH1 ILE 105 HA    -0.01   0.25   0.87  -0.75   4.18     4.53
1awvH1 ILE 105 HB    -0.01  -0.29   0.19  -0.04   1.89     1.74
1awvH1 ILE 105 HG12  -0.00   0.05  -0.02  -0.04   1.49     1.48
1awvH1 ILE 105 HG13  -0.01  -0.05   0.06  -0.04   1.21     1.17
1awvH1 ILE 105 HG23  -0.01   0.05  -0.09  -0.04   0.93     0.84
1awvH1 ILE 105 HD13  -0.00   0.00  -0.14  -0.04   0.88     0.70
1awvH1 ALA 106 H     -0.00   0.15   0.05  -0.55   8.40     8.05
1awvH1 ALA 106 HA    -0.00   0.05   0.19  -0.75   4.34     3.83
1awvH1 ALA 106 HB3   -0.00   0.06  -0.00  -0.04   1.41     1.42