=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1hegI1 ALA 201 HA     0.00  -0.14   0.22  -0.75   4.34     3.66
1hegI1 ALA 201 HB3    0.00   0.00   0.01  -0.04   1.41     1.39
1hegI1 ALA 202 H      0.00   0.09   0.00  -0.55   8.40     7.94
1hegI1 ALA 202 HA     0.00   0.08   0.20  -0.75   4.34     3.87
1hegI1 ALA 202 HB3    0.00   0.01   0.08  -0.04   1.41     1.46
1hegI1 VAL 210 H      0.00   0.17   0.11  -0.55   8.24     7.97
1hegI1 VAL 210 HA     0.00   0.18   0.99  -0.75   4.13     4.55
1hegI1 VAL 210 HB     0.00   0.01  -0.01  -0.04   2.12     2.08
1hegI1 VAL 210 HG13   0.00   0.01   0.01  -0.04   0.97     0.95
1hegI1 VAL 210 HG23   0.00   0.01  -0.06  -0.04   0.95     0.86
1hegI1 VAL 211 H      0.00   0.13   0.06  -0.55   8.24     7.88
1hegI1 VAL 211 HA     0.00   0.07   0.18  -0.75   4.13     3.62
1hegI1 VAL 211 HB     0.00   0.01   0.02  -0.04   2.12     2.11
1hegI1 VAL 211 HG13   0.00   0.11  -0.20  -0.04   0.97     0.84
1hegI1 VAL 211 HG23   0.00   0.01   0.06  -0.04   0.95     0.98