=============================================================================
          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    16.222  12.948  48.988  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1awvI1 HIS 101 HA     0.00  -0.11   0.23  -0.75   4.63     3.99
1awvI1 HIS 101 HB2    0.00  -0.04   0.05  -0.04   3.26     3.24
1awvI1 HIS 101 HB3    0.00   0.01  -0.01  -0.04   3.20     3.16
1awvI1 HIS 101 HD2    0.00  -0.01  -0.03  -0.04   6.97     6.88
1awvI1 HIS 101 HE1    0.00  -0.02   0.02  -0.04   7.75     7.71
1awvI1 VAL 102 H     -0.02   0.05   0.11  -0.55   8.24     7.83
1awvI1 VAL 102 HA    -0.01   0.07   0.61  -0.75   4.13     4.05
1awvI1 VAL 102 HB    -0.04  -0.03   0.14  -0.04   2.12     2.15
1awvI1 VAL 102 HG13  -0.03  -0.01  -0.13  -0.04   0.97     0.76
1awvI1 VAL 102 HG23   0.00   0.00   0.02  -0.04   0.95     0.94
1awvI1 GLY 103 H     -0.03   0.12   0.14  -0.55   8.43     8.12
1awvI1 GLY 103 HA2   -0.05   0.01   0.40  -0.51   4.01     3.86
1awvI1 GLY 103 HA3   -0.07   0.16   0.42  -0.51   4.01     4.01
1awvI1 PRO 104 HA    -0.01   0.08   0.71  -0.51   4.44     4.70
1awvI1 PRO 104 HB2   -0.01   0.08   0.04  -0.04   2.28     2.35
1awvI1 PRO 104 HB3   -0.01   0.01   0.14  -0.04   2.02     2.11
1awvI1 PRO 104 HG2   -0.02   0.04   0.02  -0.04   2.03     2.03
1awvI1 PRO 104 HG3   -0.02   0.03   0.05  -0.04   2.03     2.06
1awvI1 PRO 104 HD2   -0.03   0.12   0.22  -0.04   3.68     3.95
1awvI1 PRO 104 HD3   -0.02   0.10   0.09  -0.04   3.65     3.77
1awvI1 ILE 105 H     -0.01   0.14   0.13  -0.55   8.25     7.96
1awvI1 ILE 105 HA    -0.01   0.25   0.86  -0.75   4.18     4.53
1awvI1 ILE 105 HB     0.00  -0.23   0.14  -0.04   1.89     1.76
1awvI1 ILE 105 HG12  -0.00  -0.02  -0.01  -0.04   1.49     1.42
1awvI1 ILE 105 HG13  -0.00   0.01  -0.17  -0.04   1.21     1.00
1awvI1 ILE 105 HG23  -0.00   0.04  -0.22  -0.04   0.93     0.70
1awvI1 ILE 105 HD13   0.00   0.01  -0.04  -0.04   0.88     0.82
1awvI1 ALA 106 H     -0.00   0.17   0.04  -0.55   8.40     8.06
1awvI1 ALA 106 HA     0.00   0.05   0.19  -0.75   4.34     3.82
1awvI1 ALA 106 HB3   -0.00   0.08   0.15  -0.04   1.41     1.60