=============================================================================
          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
=============================================================================
1jxqE1 GLU 503 HA     0.00  -0.11   0.19  -0.75   4.29     3.61
1jxqE1 GLU 503 HB2    0.00  -0.04   0.04  -0.04   2.09     2.05
1jxqE1 GLU 503 HB3    0.00  -0.01   0.01  -0.04   1.99     1.94
1jxqE1 GLU 503 HG2    0.00   0.34  -0.26  -0.04   2.34     2.38
1jxqE1 GLU 503 HG3    0.00  -0.09   0.01  -0.04   2.34     2.21
1jxqE1 VAL 504 H      0.00   0.04   0.00  -0.55   8.24     7.73
1jxqE1 VAL 504 HA     0.00   0.13   0.25  -0.75   4.13     3.75
1jxqE1 VAL 504 HB     0.00   0.02   0.07  -0.04   2.12     2.16
1jxqE1 VAL 504 HG13   0.00   0.00   0.02  -0.04   0.97     0.96
1jxqE1 VAL 504 HG23   0.00  -0.00   0.04  -0.04   0.95     0.95