=============================================================================
          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
=============================================================================
1pvc01 ILE   7 HA     0.00  -0.04   0.15  -0.75   4.18     3.53
1pvc01 ILE   7 HB     0.00  -0.04  -0.01  -0.04   1.89     1.80
1pvc01 ILE   7 HG12   0.00   0.00  -0.05  -0.04   1.49     1.40
1pvc01 ILE   7 HG13   0.00   0.01  -0.13  -0.04   1.21     1.05
1pvc01 ILE   7 HG23   0.00   0.00   0.01  -0.04   0.93     0.90
1pvc01 ILE   7 HD13   0.00  -0.02  -0.22  -0.04   0.88     0.60
1pvc01 SER   8 H      0.00   0.15  -0.06  -0.55   8.46     8.00
1pvc01 SER   8 HA     0.00   0.11   0.65  -0.75   4.49     4.50
1pvc01 SER   8 HB2    0.00   0.04   0.05  -0.04   3.95     4.00
1pvc01 SER   8 HB3    0.00   0.09  -0.12  -0.04   3.93     3.86
1pvc01 GLU   9 H      0.00   0.13   0.03  -0.55   8.60     8.22
1pvc01 GLU   9 HA     0.00   0.06   0.64  -0.75   4.29     4.24
1pvc01 GLU   9 HB2    0.00   0.02   0.09  -0.04   2.09     2.16
1pvc01 GLU   9 HB3    0.00   0.00   0.12  -0.04   1.99     2.07
1pvc01 GLU   9 HG2    0.00   0.01  -0.01  -0.04   2.34     2.30
1pvc01 GLU   9 HG3    0.00  -0.02  -0.15  -0.04   2.34     2.12
1pvc01 VAL  10 H      0.00   0.22   0.06  -0.55   8.24     7.97
1pvc01 VAL  10 HA     0.00   0.21   0.48  -0.75   4.13     4.07
1pvc01 VAL  10 HB     0.00   0.01   0.04  -0.04   2.12     2.13
1pvc01 VAL  10 HG13   0.00   0.05  -0.28  -0.04   0.97     0.71
1pvc01 VAL  10 HG23   0.00   0.00   0.03  -0.04   0.95     0.94