=============================================================================
          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
=============================================================================
1d0jH1 ALA 232 HA     0.00  -0.05   0.16  -0.75   4.34     3.69
1d0jH1 ALA 232 HB3    0.00  -0.02  -0.03  -0.04   1.41     1.32
1d0jH1 ALA 233 H      0.00   0.16   0.05  -0.55   8.40     8.07
1d0jH1 ALA 233 HA     0.00   0.14   0.90  -0.75   4.34     4.63
1d0jH1 ALA 233 HB3    0.00   0.01   0.02  -0.04   1.41     1.39
1d0jH1 GLN 234 H      0.00   0.12   0.07  -0.55   8.47     8.11
1d0jH1 GLN 234 HA     0.00  -0.00   0.36  -0.75   4.36     3.96
1d0jH1 GLN 234 HB2    0.00  -0.00   0.05  -0.04   2.15     2.15
1d0jH1 GLN 234 HB3    0.00   0.05   0.08  -0.04   2.02     2.11
1d0jH1 GLN 234 HG2    0.00  -0.00   0.01  -0.04   2.40     2.37
1d0jH1 GLN 234 HG3    0.00   0.01   0.06  -0.04   2.39     2.42
1d0jH1 GLN 234 HE21   0.00  -0.01   0.01  -0.04   6.97     6.92
1d0jH1 GLN 234 HE22   0.00  -0.00   0.00  -0.04   7.69     7.65
1d0jH1 GLU 235 H      0.00   0.04   0.17  -0.55   8.60     8.26
1d0jH1 GLU 235 HA     0.00   0.07   0.46  -0.75   4.29     4.07
1d0jH1 GLU 235 HB2    0.00   0.03   0.09  -0.04   2.09     2.18
1d0jH1 GLU 235 HB3    0.00  -0.02   0.14  -0.04   1.99     2.07
1d0jH1 GLU 235 HG2    0.00  -0.09   0.06  -0.04   2.34     2.27
1d0jH1 GLU 235 HG3    0.00   0.10  -0.32  -0.04   2.34     2.08
1d0jH1 GLU 236 H      0.00   0.10   0.07  -0.55   8.60     8.22
1d0jH1 GLU 236 HA     0.00   0.22   0.55  -0.75   4.29     4.31