=============================================================================
          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
=============================================================================
1qz0D1 ASP 601 HA     0.00  -0.03   0.20  -0.75   4.63     4.05
1qz0D1 ASP 601 HB2    0.00   0.06   0.03  -0.04   2.71     2.77
1qz0D1 ASP 601 HB3    0.00  -0.03  -0.05  -0.04   2.70     2.59
1qz0D1 ALA 602 H      0.00   0.12   0.09  -0.55   8.40     8.06
1qz0D1 ALA 602 HA     0.00   0.11   0.40  -0.75   4.34     4.10
1qz0D1 ALA 602 HB3    0.00   0.00   0.09  -0.04   1.41     1.46
1qz0D1 ASP 603 H      0.00   0.04  -0.30  -0.55   8.40     7.59
1qz0D1 ASP 603 HA     0.00   0.27   0.93  -0.75   4.63     5.08
1qz0D1 ASP 603 HB2    0.00   0.00   0.03  -0.04   2.71     2.69
1qz0D1 ASP 603 HB3    0.00   0.03   0.15  -0.04   2.70     2.84
1qz0D1 GLU 604 H      0.00   0.49  -0.43  -0.55   8.60     8.12
1qz0D1 GLU 604 HA     0.00   0.05   0.16  -0.75   4.29     3.75
1qz0D1 GLU 604 HB2    0.00  -0.04   0.05  -0.04   2.09     2.06
1qz0D1 GLU 604 HB3    0.00   0.05   0.05  -0.04   1.99     2.05
1qz0D1 GLU 604 HG2    0.00   0.40   0.08  -0.04   2.34     2.78
1qz0D1 GLU 604 HG3    0.00  -0.07  -0.01  -0.04   2.34     2.22