=============================================================================
          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
=============================================================================
1cp3C1 ASP 990 HA     0.00  -0.09   0.24  -0.75   4.63     4.02
1cp3C1 ASP 990 HB2    0.00  -0.03   0.04  -0.04   2.71     2.68
1cp3C1 ASP 990 HB3    0.00   0.01  -0.10  -0.04   2.70     2.57
1cp3C1 VAL 991 H      0.00   0.14   0.13  -0.55   8.24     7.96
1cp3C1 VAL 991 HA     0.00   0.20   0.91  -0.75   4.13     4.48
1cp3C1 VAL 991 HB     0.00   0.02   0.06  -0.04   2.12     2.16
1cp3C1 VAL 991 HG13   0.00   0.01  -0.13  -0.04   0.97     0.81
1cp3C1 VAL 991 HG23   0.00  -0.01  -0.04  -0.04   0.95     0.86
1cp3C1 ALA 992 H      0.00   0.15   0.04  -0.55   8.40     8.04
1cp3C1 ALA 992 HA     0.00   0.20   0.50  -0.75   4.34     4.29
1cp3C1 ALA 992 HB3    0.00   0.02   0.05  -0.04   1.41     1.44