=============================================================================
          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
=============================================================================
1cp3D1 ASP 990 HA     0.00  -0.10   0.26  -0.75   4.63     4.03
1cp3D1 ASP 990 HB2    0.00  -0.02   0.07  -0.04   2.71     2.72
1cp3D1 ASP 990 HB3    0.00  -0.01  -0.08  -0.04   2.70     2.57
1cp3D1 VAL 991 H      0.00   0.20   0.15  -0.55   8.24     8.04
1cp3D1 VAL 991 HA     0.00   0.15   0.80  -0.75   4.13     4.33
1cp3D1 VAL 991 HB     0.00   0.01   0.05  -0.04   2.12     2.13
1cp3D1 VAL 991 HG13   0.00   0.02  -0.18  -0.04   0.97     0.76
1cp3D1 VAL 991 HG23   0.00  -0.01  -0.05  -0.04   0.95     0.85
1cp3D1 ALA 992 H      0.00   0.17   0.05  -0.55   8.40     8.07
1cp3D1 ALA 992 HA     0.00   0.25   0.69  -0.75   4.34     4.52
1cp3D1 ALA 992 HB3    0.00   0.02   0.02  -0.04   1.41     1.42