=============================================================================
          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
=============================================================================
1qz0E1 ASP 503 HA     0.00  -0.04   0.20  -0.75   4.63     4.04
1qz0E1 ASP 503 HB2    0.00  -0.01   0.05  -0.04   2.71     2.71
1qz0E1 ASP 503 HB3    0.00  -0.07   0.07  -0.04   2.70     2.66
1qz0E1 GLU 504 H      0.00   0.20   0.00  -0.55   8.60     8.25
1qz0E1 GLU 504 HA     0.00   0.25   0.75  -0.75   4.29     4.53
1qz0E1 GLU 504 HB2    0.00  -0.00   0.06  -0.04   2.09     2.10
1qz0E1 GLU 504 HB3    0.00   0.00   0.06  -0.04   1.99     2.01
1qz0E1 GLU 504 HG2    0.00   0.06  -0.09  -0.04   2.34     2.28
1qz0E1 GLU 504 HG3    0.00  -0.04  -0.26  -0.04   2.34     2.00