=============================================================================
          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
=============================================================================
1spsE1 PRO  -2 HA     0.00  -0.10   0.22  -0.51   4.44     4.05
1spsE1 PRO  -2 HB2    0.00  -0.01   0.02  -0.04   2.28     2.24
1spsE1 PRO  -2 HB3    0.00  -0.00   0.00  -0.04   2.02     1.98
1spsE1 PRO  -2 HG2    0.00  -0.00   0.02  -0.04   2.03     2.01
1spsE1 PRO  -2 HG3    0.00  -0.00   0.04  -0.04   2.03     2.02
1spsE1 PRO  -2 HD2    0.00  -0.00   0.05  -0.04   3.68     3.68
1spsE1 PRO  -2 HD3    0.00  -0.00   0.03  -0.04   3.65     3.64
1spsE1 GLN  -1 H      0.00   0.20   0.03  -0.55   8.47     8.16
1spsE1 GLN  -1 HE21   0.00  -0.00  -0.04  -0.04   6.97     6.89
1spsE1 GLN  -1 HE22   0.00   0.01  -0.16  -0.04   7.69     7.50
1spsE1 GLN  -1 HA     0.00   0.26   0.65  -0.75   4.36     4.51
1spsE1 GLN  -1 HB2    0.00   0.04  -0.02  -0.04   2.15     2.13
1spsE1 GLN  -1 HB3    0.00  -0.01   0.08  -0.04   2.02     2.05
1spsE1 GLN  -1 HG2    0.00   0.01   0.02  -0.04   2.40     2.39
1spsE1 GLN  -1 HG3    0.00   0.03   0.04  -0.04   2.39     2.42
1spsE1 GLU   1 H      0.00   0.00   0.09  -0.55   8.60     8.14
1spsE1 GLU   1 HA     0.00  -0.12   0.25  -0.75   4.29     3.66
1spsE1 GLU   1 HB2    0.00  -0.04   0.05  -0.04   2.09     2.06
1spsE1 GLU   1 HB3    0.00   0.13   0.00  -0.04   1.99     2.09
1spsE1 GLU   1 HG2    0.00  -0.02  -0.06  -0.04   2.34     2.22
1spsE1 GLU   1 HG3    0.00  -0.01   0.04  -0.04   2.34     2.33
1spsE1 GLU   2 H      0.00   0.08   0.12  -0.55   8.60     8.25
1spsE1 GLU   2 HA     0.00   0.13   0.78  -0.75   4.29     4.45
1spsE1 GLU   2 HB2    0.00   0.02   0.03  -0.04   2.09     2.09
1spsE1 GLU   2 HB3    0.00   0.04   0.11  -0.04   1.99     2.10
1spsE1 GLU   2 HG2    0.00  -0.08   0.01  -0.04   2.34     2.23
1spsE1 GLU   2 HG3    0.00   0.01   0.02  -0.04   2.34     2.33
1spsE1 ILE   3 H      0.00   0.09   0.04  -0.55   8.25     7.83
1spsE1 ILE   3 HA     0.00   0.22   0.56  -0.75   4.18     4.21
1spsE1 ILE   3 HB     0.00  -0.00   0.08  -0.04   1.89     1.93
1spsE1 ILE   3 HG12   0.00   0.08  -0.13  -0.04   1.49     1.40
1spsE1 ILE   3 HG13   0.00  -0.01  -0.15  -0.04   1.21     1.01
1spsE1 ILE   3 HG23   0.00   0.01   0.03  -0.04   0.93     0.93
1spsE1 ILE   3 HD13   0.00   0.00  -0.02  -0.04   0.88     0.82