=============================================================================
          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    51.737  50.166  48.332  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1awvL1 HIS 101 HA     0.00  -0.07   0.18  -0.75   4.63     3.99
1awvL1 HIS 101 HB2    0.00  -0.03   0.03  -0.04   3.26     3.22
1awvL1 HIS 101 HB3    0.00   0.05  -0.12  -0.04   3.20     3.09
1awvL1 HIS 101 HD2    0.00  -0.00   0.01  -0.04   6.97     6.93
1awvL1 HIS 101 HE1    0.00  -0.00   0.03  -0.04   7.75     7.74
1awvL1 VAL 102 H      0.25   0.08   0.10  -0.55   8.24     8.13
1awvL1 VAL 102 HA     0.04   0.24   1.00  -0.75   4.13     4.67
1awvL1 VAL 102 HB     0.06  -0.02   0.07  -0.04   2.12     2.19
1awvL1 VAL 102 HG13   0.02  -0.01  -0.06  -0.04   0.97     0.89
1awvL1 VAL 102 HG23   0.07   0.00  -0.11  -0.04   0.95     0.87
1awvL1 GLY 103 H      0.01   0.08   0.08  -0.55   8.43     8.05
1awvL1 GLY 103 HA2   -0.01  -0.00   0.37  -0.51   4.01     3.86
1awvL1 GLY 103 HA3   -0.03   0.20   0.85  -0.51   4.01     4.52
1awvL1 PRO 104 HA    -0.00   0.03   0.54  -0.51   4.44     4.50
1awvL1 PRO 104 HB2   -0.00   0.09   0.02  -0.04   2.28     2.35
1awvL1 PRO 104 HB3   -0.00  -0.00   0.13  -0.04   2.02     2.11
1awvL1 PRO 104 HG2   -0.01   0.04   0.06  -0.04   2.03     2.09
1awvL1 PRO 104 HG3   -0.00   0.03   0.07  -0.04   2.03     2.09
1awvL1 PRO 104 HD2   -0.01   0.09   0.23  -0.04   3.68     3.95
1awvL1 PRO 104 HD3   -0.00   0.09   0.17  -0.04   3.65     3.87
1awvL1 ILE 105 H     -0.00   0.11   0.16  -0.55   8.25     7.96
1awvL1 ILE 105 HA    -0.01   0.27   0.99  -0.75   4.18     4.68
1awvL1 ILE 105 HB    -0.01  -0.27   0.17  -0.04   1.89     1.74
1awvL1 ILE 105 HG12  -0.00   0.05  -0.02  -0.04   1.49     1.48
1awvL1 ILE 105 HG13  -0.00  -0.04   0.05  -0.04   1.21     1.17
1awvL1 ILE 105 HG23  -0.01   0.06  -0.19  -0.04   0.93     0.75
1awvL1 ILE 105 HD13  -0.00  -0.00  -0.18  -0.04   0.88     0.65
1awvL1 ALA 106 H     -0.00   0.15   0.05  -0.55   8.40     8.05
1awvL1 ALA 106 HA    -0.00   0.05   0.19  -0.75   4.34     3.82
1awvL1 ALA 106 HB3   -0.00   0.07   0.04  -0.04   1.41     1.48