=============================================================================
          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    52.795  50.303 -14.461  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1awvJ1 HIS 101 HA     0.00  -0.12   0.24  -0.75   4.63     4.00
1awvJ1 HIS 101 HB2    0.00  -0.05   0.05  -0.04   3.26     3.22
1awvJ1 HIS 101 HB3    0.00   0.05  -0.12  -0.04   3.20     3.09
1awvJ1 HIS 101 HD2    0.00  -0.01  -0.01  -0.04   6.97     6.90
1awvJ1 HIS 101 HE1    0.00  -0.02   0.03  -0.04   7.75     7.71
1awvJ1 VAL 102 H     -0.04   0.07   0.13  -0.55   8.24     7.85
1awvJ1 VAL 102 HA    -0.00   0.19   0.83  -0.75   4.13     4.40
1awvJ1 VAL 102 HB    -0.01  -0.02   0.11  -0.04   2.12     2.16
1awvJ1 VAL 102 HG13   0.02   0.01  -0.04  -0.04   0.97     0.91
1awvJ1 VAL 102 HG23  -0.04  -0.01  -0.11  -0.04   0.95     0.75
1awvJ1 GLY 103 H     -0.02   0.06   0.09  -0.55   8.43     8.01
1awvJ1 GLY 103 HA2   -0.04  -0.02   0.37  -0.51   4.01     3.81
1awvJ1 GLY 103 HA3   -0.07   0.26   0.95  -0.51   4.01     4.64
1awvJ1 PRO 104 HA    -0.01   0.04   0.59  -0.51   4.44     4.55
1awvJ1 PRO 104 HB2   -0.01   0.11   0.06  -0.04   2.28     2.41
1awvJ1 PRO 104 HB3   -0.01  -0.02   0.12  -0.04   2.02     2.07
1awvJ1 PRO 104 HG2   -0.02   0.07   0.03  -0.04   2.03     2.07
1awvJ1 PRO 104 HG3   -0.01   0.02   0.06  -0.04   2.03     2.06
1awvJ1 PRO 104 HD2   -0.03   0.11   0.22  -0.04   3.68     3.94
1awvJ1 PRO 104 HD3   -0.02   0.07   0.16  -0.04   3.65     3.83
1awvJ1 ILE 105 H     -0.01   0.08   0.15  -0.55   8.25     7.93
1awvJ1 ILE 105 HA    -0.01   0.31   0.95  -0.75   4.18     4.67
1awvJ1 ILE 105 HB    -0.00  -0.20   0.14  -0.04   1.89     1.79
1awvJ1 ILE 105 HG12  -0.00   0.03   0.01  -0.04   1.49     1.49
1awvJ1 ILE 105 HG13  -0.00  -0.02  -0.05  -0.04   1.21     1.10
1awvJ1 ILE 105 HG23  -0.00   0.04  -0.10  -0.04   0.93     0.83
1awvJ1 ILE 105 HD13   0.00   0.00  -0.02  -0.04   0.88     0.82
1awvJ1 ALA 106 H     -0.00   0.09   0.05  -0.55   8.40     7.99
1awvJ1 ALA 106 HA    -0.00   0.05   0.17  -0.75   4.34     3.81
1awvJ1 ALA 106 HB3   -0.00   0.06   0.18  -0.04   1.41     1.61