=============================================================================
          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
=============================================================================
2rdlJ1 ALA   2 HA     0.00  -0.06   0.16  -0.75   4.34     3.69
2rdlJ1 ALA   2 HB3    0.00  -0.02   0.05  -0.04   1.41     1.40
2rdlJ1 ALA   3 H      0.00   0.13   0.05  -0.55   8.40     8.04
2rdlJ1 ALA   3 HA     0.00   0.23   0.97  -0.75   4.34     4.79
2rdlJ1 ALA   3 HB3    0.00  -0.00   0.00  -0.04   1.41     1.37
2rdlJ1 PRO   4 HA     0.00   0.10   0.26  -0.51   4.44     4.29
2rdlJ1 PRO   4 HB2    0.00   0.02   0.06  -0.04   2.28     2.32
2rdlJ1 PRO   4 HB3    0.00   0.03   0.04  -0.04   2.02     2.04
2rdlJ1 PRO   4 HG2    0.00   0.02   0.06  -0.04   2.03     2.06
2rdlJ1 PRO   4 HG3    0.00   0.04   0.05  -0.04   2.03     2.08
2rdlJ1 PRO   4 HD2    0.00   0.13   0.22  -0.04   3.68     3.99
2rdlJ1 PRO   4 HD3    0.00   0.17   0.05  -0.04   3.65     3.83