=============================================================================
          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
=============================================================================
1spsD1 PRO  -2 HA     0.00  -0.08   0.21  -0.51   4.44     4.05
1spsD1 PRO  -2 HB2    0.00   0.05  -0.07  -0.04   2.28     2.22
1spsD1 PRO  -2 HB3    0.00  -0.03   0.04  -0.04   2.02     2.00
1spsD1 PRO  -2 HG2    0.00   0.01   0.01  -0.04   2.03     2.00
1spsD1 PRO  -2 HG3    0.00  -0.01   0.01  -0.04   2.03     1.99
1spsD1 PRO  -2 HD2    0.00  -0.01   0.05  -0.04   3.68     3.68
1spsD1 PRO  -2 HD3    0.00  -0.01   0.04  -0.04   3.65     3.64
1spsD1 GLN  -1 H      0.00   0.10   0.03  -0.55   8.47     8.04
1spsD1 GLN  -1 HA     0.00   0.22   0.36  -0.75   4.36     4.19
1spsD1 GLU   1 H      0.00   0.00   0.08  -0.55   8.60     8.13
1spsD1 GLU   1 HA     0.00  -0.09   0.24  -0.75   4.29     3.69
1spsD1 GLU   1 HB2    0.00  -0.03   0.05  -0.04   2.09     2.07
1spsD1 GLU   1 HB3    0.00   0.03  -0.09  -0.04   1.99     1.89
1spsD1 GLU   1 HG2    0.00   0.00   0.01  -0.04   2.34     2.31
1spsD1 GLU   1 HG3    0.00  -0.01  -0.00  -0.04   2.34     2.29
1spsD1 GLU   2 H      0.00   0.16   0.11  -0.55   8.60     8.33
1spsD1 GLU   2 HA     0.00   0.16   0.81  -0.75   4.29     4.51
1spsD1 GLU   2 HB2    0.00  -0.04   0.06  -0.04   2.09     2.07
1spsD1 GLU   2 HB3    0.00   0.13   0.02  -0.04   1.99     2.10
1spsD1 GLU   2 HG2    0.00   0.03   0.07  -0.04   2.34     2.39
1spsD1 GLU   2 HG3    0.00  -0.03  -0.25  -0.04   2.34     2.02
1spsD1 ILE   3 H      0.00   0.13   0.08  -0.55   8.25     7.91
1spsD1 ILE   3 HA     0.00   0.10   0.54  -0.75   4.18     4.07
1spsD1 ILE   3 HB     0.00  -0.00   0.13  -0.04   1.89     1.98
1spsD1 ILE   3 HG12   0.00   0.02  -0.02  -0.04   1.49     1.46
1spsD1 ILE   3 HG13   0.00  -0.01   0.03  -0.04   1.21     1.19
1spsD1 ILE   3 HG23   0.00  -0.00  -0.05  -0.04   0.93     0.84
1spsD1 ILE   3 HD13   0.00   0.00   0.01  -0.04   0.88     0.85
1spsD1 PRO   4 HA     0.00   0.11  -0.29  -0.51   4.44     3.75
1spsD1 PRO   4 HB2    0.00   0.03   0.07  -0.04   2.28     2.34
1spsD1 PRO   4 HB3    0.00   0.03   0.06  -0.04   2.02     2.07
1spsD1 PRO   4 HG2    0.00   0.03   0.05  -0.04   2.03     2.07
1spsD1 PRO   4 HG3    0.00   0.04   0.07  -0.04   2.03     2.09
1spsD1 PRO   4 HD2    0.00   0.06   0.18  -0.04   3.68     3.88
1spsD1 PRO   4 HD3    0.00   0.19   0.21  -0.04   3.65     4.00