=============================================================================
          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
=============================================================================
1m72E1 ASP 501 HA     0.00  -0.09   0.23  -0.75   4.63     4.03
1m72E1 ASP 501 HB2    0.00  -0.03   0.05  -0.04   2.71     2.69
1m72E1 ASP 501 HB3    0.00   0.00  -0.10  -0.04   2.70     2.56
1m72E1 GLU 502 H      0.00   0.18   0.15  -0.55   8.60     8.38
1m72E1 GLU 502 HA     0.00   0.18   0.84  -0.75   4.29     4.55
1m72E1 GLU 502 HB2    0.00  -0.02  -0.06  -0.04   2.09     1.97
1m72E1 GLU 502 HB3    0.00  -0.01   0.06  -0.04   1.99     2.01
1m72E1 GLU 502 HG2    0.00   0.15  -0.21  -0.04   2.34     2.24
1m72E1 GLU 502 HG3    0.00  -0.04  -0.37  -0.04   2.34     1.89
1m72E1 VAL 503 H      0.00   0.15   0.05  -0.55   8.24     7.89
1m72E1 VAL 503 HA     0.00   0.29   0.86  -0.75   4.13     4.53
1m72E1 VAL 503 HB     0.00   0.02   0.06  -0.04   2.12     2.16
1m72E1 VAL 503 HG13   0.00   0.01  -0.14  -0.04   0.97     0.80
1m72E1 VAL 503 HG23   0.00   0.01   0.05  -0.04   0.95     0.96