=============================================================================
          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
=============================================================================
1qrpI1 VAL 328 HA     0.00  -0.08   0.17  -0.75   4.13     3.47
1qrpI1 VAL 328 HB     0.00  -0.03   0.01  -0.04   2.12     2.07
1qrpI1 VAL 328 HG13   0.00  -0.00   0.03  -0.04   0.97     0.96
1qrpI1 VAL 328 HG23   0.00  -0.01  -0.01  -0.04   0.95     0.90
1qrpI1 VAL 329 H      0.00   0.16   0.02  -0.55   8.24     7.86
1qrpI1 VAL 329 HA     0.00   0.22   0.35  -0.75   4.13     3.95
1qrpI1 VAL 329 HB     0.00  -0.03   0.09  -0.04   2.12     2.14
1qrpI1 VAL 329 HG13   0.00   0.01   0.03  -0.04   0.97     0.97
1qrpI1 VAL 329 HG23   0.00   0.01  -0.12  -0.04   0.95     0.80
1qrpI1 ALA 332 HA     0.00   0.01   0.14  -0.75   4.34     3.74
1qrpI1 ALA 332 HB3    0.00  -0.00   0.02  -0.04   1.41     1.38