=============================================================================
          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
=============================================================================
3dcrI1 THR   1 HA     0.00  -0.03   0.14  -0.75   4.39     3.75
3dcrI1 THR   1 HB     0.00  -0.01   0.07  -0.04   4.32     4.34
3dcrI1 THR   1 HG23   0.00  -0.00   0.03  -0.04   1.22     1.21
3dcrI1 ILE   2 H      0.00   0.28   0.02  -0.55   8.25     8.00
3dcrI1 ILE   2 HA     0.00   0.23   0.77  -0.75   4.18     4.43
3dcrI1 ILE   2 HB     0.00   0.00   0.08  -0.04   1.89     1.93
3dcrI1 ILE   2 HG12   0.00  -0.03  -0.20  -0.04   1.49     1.22
3dcrI1 ILE   2 HG13   0.00  -0.02  -0.05  -0.04   1.21     1.10
3dcrI1 ILE   2 HG23   0.00   0.00   0.03  -0.04   0.93     0.92
3dcrI1 ILE   2 HD13   0.00   0.06  -0.15  -0.04   0.88     0.75
3dcrI1 GLN   4 HA     0.00   0.01   0.09  -0.75   4.36     3.70
3dcrI1 GLN   4 HB2    0.00   0.02  -0.07  -0.04   2.15     2.06
3dcrI1 GLN   4 HB3    0.00  -0.01   0.00  -0.04   2.02     1.97
3dcrI1 GLN   4 HG2    0.00   0.00   0.01  -0.04   2.40     2.37
3dcrI1 GLN   4 HG3    0.00   0.00  -0.02  -0.04   2.39     2.33
3dcrI1 GLN   4 HE21   0.00  -0.01   0.00  -0.04   6.97     6.92
3dcrI1 GLN   4 HE22   0.00   0.00   0.00  -0.04   7.69     7.65