=============================================================================
          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
=============================================================================
1m72F1 ASP 501 HA     0.00  -0.09   0.24  -0.75   4.63     4.02
1m72F1 ASP 501 HB2    0.00  -0.03   0.06  -0.04   2.71     2.70
1m72F1 ASP 501 HB3    0.00   0.01  -0.08  -0.04   2.70     2.59
1m72F1 GLU 502 H      0.00   0.15   0.13  -0.55   8.60     8.33
1m72F1 GLU 502 HA     0.00   0.18   0.85  -0.75   4.29     4.56
1m72F1 GLU 502 HB2    0.00  -0.04   0.00  -0.04   2.09     2.01
1m72F1 GLU 502 HB3    0.00   0.05   0.03  -0.04   1.99     2.03
1m72F1 GLU 502 HG2    0.00   0.01  -0.01  -0.04   2.34     2.30
1m72F1 GLU 502 HG3    0.00   0.07  -0.43  -0.04   2.34     1.94
1m72F1 VAL 503 H      0.00   0.16   0.05  -0.55   8.24     7.90
1m72F1 VAL 503 HA     0.00   0.27   0.78  -0.75   4.13     4.43
1m72F1 VAL 503 HB     0.00   0.02   0.06  -0.04   2.12     2.16
1m72F1 VAL 503 HG13   0.00   0.01  -0.12  -0.04   0.97     0.82
1m72F1 VAL 503 HG23   0.00   0.00   0.05  -0.04   0.95     0.97