=============================================================================
          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    51.134  50.249 110.102  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1awvK1 HIS 101 HA     0.00  -0.13   0.24  -0.75   4.63     3.98
1awvK1 HIS 101 HB2    0.00  -0.01   0.04  -0.04   3.26     3.25
1awvK1 HIS 101 HB3    0.00   0.02  -0.08  -0.04   3.20     3.10
1awvK1 HIS 101 HD2    0.00  -0.00   0.00  -0.04   6.97     6.93
1awvK1 HIS 101 HE1    0.00  -0.01   0.01  -0.04   7.75     7.71
1awvK1 VAL 102 H      0.09   0.07   0.09  -0.55   8.24     7.94
1awvK1 VAL 102 HA     0.03   0.07   0.55  -0.75   4.13     4.02
1awvK1 VAL 102 HB     0.03  -0.02   0.15  -0.04   2.12     2.24
1awvK1 VAL 102 HG13   0.02  -0.01  -0.10  -0.04   0.97     0.84
1awvK1 VAL 102 HG23   0.02   0.00   0.02  -0.04   0.95     0.95
1awvK1 GLY 103 H      0.02   0.20   0.15  -0.55   8.43     8.26
1awvK1 GLY 103 HA2    0.01   0.02   0.42  -0.51   4.01     3.95
1awvK1 GLY 103 HA3    0.02   0.10   0.40  -0.51   4.01     4.01
1awvK1 PRO 104 HA     0.01   0.11   0.72  -0.51   4.44     4.77
1awvK1 PRO 104 HB2    0.00   0.07   0.06  -0.04   2.28     2.37
1awvK1 PRO 104 HB3    0.01   0.01   0.14  -0.04   2.02     2.14
1awvK1 PRO 104 HG2    0.01   0.03   0.02  -0.04   2.03     2.05
1awvK1 PRO 104 HG3    0.00   0.03   0.05  -0.04   2.03     2.08
1awvK1 PRO 104 HD2    0.01   0.11   0.22  -0.04   3.68     3.98
1awvK1 PRO 104 HD3    0.01   0.10   0.06  -0.04   3.65     3.79
1awvK1 ILE 105 H      0.01   0.19   0.15  -0.55   8.25     8.05
1awvK1 ILE 105 HA     0.00   0.19   0.67  -0.75   4.18     4.29
1awvK1 ILE 105 HB     0.01  -0.14   0.10  -0.04   1.89     1.81
1awvK1 ILE 105 HG12   0.01   0.04  -0.08  -0.04   1.49     1.42
1awvK1 ILE 105 HG13   0.01  -0.04  -0.13  -0.04   1.21     1.01
1awvK1 ILE 105 HG23   0.01   0.05  -0.11  -0.04   0.93     0.83
1awvK1 ILE 105 HD13   0.00  -0.00  -0.13  -0.04   0.88     0.71
1awvK1 ALA 106 H      0.00   0.15   0.04  -0.55   8.40     8.05
1awvK1 ALA 106 HA     0.00   0.05   0.19  -0.75   4.34     3.83
1awvK1 ALA 106 HB3    0.00   0.09   0.09  -0.04   1.41     1.55