=============================================================================
          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
=============================================================================
1cwdP1 GLU   2 HA     0.00  -0.00   0.20  -0.75   4.29     3.73
1cwdP1 GLU   2 HB2    0.00   0.01   0.03  -0.04   2.09     2.09
1cwdP1 GLU   2 HB3    0.00   0.00   0.02  -0.04   1.99     1.97
1cwdP1 GLU   2 HG2    0.00   0.03  -0.14  -0.04   2.34     2.18
1cwdP1 GLU   2 HG3    0.00   0.01  -0.67  -0.04   2.34     1.64
1cwdP1 GLY   3 H      0.00   0.20   0.02  -0.55   8.43     8.10
1cwdP1 GLY   3 HA2    0.00  -0.01   0.39  -0.51   4.01     3.88
1cwdP1 GLY   3 HA3    0.00   0.06   0.42  -0.51   4.01     3.98
1cwdP1 ASP   4 H      0.00   1.04  -0.08  -0.55   8.40     8.81
1cwdP1 ASP   4 HA     0.00   0.04   0.11  -0.75   4.63     4.03
1cwdP1 ASP   4 HB2    0.00   0.09  -0.06  -0.04   2.71     2.70
1cwdP1 ASP   4 HB3    0.00   0.01   0.21  -0.04   2.70     2.87
1cwdP1 GLU   6 HA     0.00  -0.10   0.22  -0.75   4.29     3.65
1cwdP1 GLU   6 HB2    0.00  -0.01   0.14  -0.04   2.09     2.18
1cwdP1 GLU   6 HB3    0.00  -0.03   0.00  -0.04   1.99     1.92
1cwdP1 GLU   6 HG2    0.00  -0.03  -0.01  -0.04   2.34     2.26
1cwdP1 GLU   6 HG3    0.00   0.14  -0.02  -0.04   2.34     2.42
1cwdP1 GLU   7 H      0.00   0.06   0.11  -0.55   8.60     8.22
1cwdP1 GLU   7 HA     0.00   0.09   0.69  -0.75   4.29     4.32
1cwdP1 GLU   7 HB2    0.00  -0.04   0.09  -0.04   2.09     2.10
1cwdP1 GLU   7 HB3    0.00   0.03   0.05  -0.04   1.99     2.03
1cwdP1 GLU   7 HG2    0.00   0.04   0.02  -0.04   2.34     2.36
1cwdP1 GLU   7 HG3    0.00  -0.03   0.04  -0.04   2.34     2.31
1cwdP1 VAL   8 H      0.00   0.18   0.21  -0.55   8.24     8.09
1cwdP1 VAL   8 HA     0.00   0.17   0.77  -0.75   4.13     4.31
1cwdP1 VAL   8 HB     0.00  -0.03   0.04  -0.04   2.12     2.10
1cwdP1 VAL   8 HG13   0.00  -0.01   0.04  -0.04   0.97     0.96
1cwdP1 VAL   8 HG23   0.00   0.05  -0.15  -0.04   0.95     0.81
1cwdP1 LEU   9 H      0.00   0.23   0.03  -0.55   8.37     8.09
1cwdP1 LEU   9 HA     0.00   0.27   0.72  -0.75   4.35     4.59
1cwdP1 LEU   9 HB2    0.00   0.04  -0.09  -0.04   1.64     1.54
1cwdP1 LEU   9 HB3    0.00   0.00   0.06  -0.04   1.64     1.66
1cwdP1 LEU   9 HG     0.00  -0.00   0.05  -0.04   1.64     1.65
1cwdP1 LEU   9 HD13   0.00   0.01   0.02  -0.04   0.93     0.92
1cwdP1 LEU   9 HD23   0.00  -0.00   0.01  -0.04   0.89     0.86