=============================================================================
          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
=============================================================================
1d0jK1 ALA 232 HA     0.00  -0.07   0.20  -0.75   4.34     3.71
1d0jK1 ALA 232 HB3    0.00  -0.01  -0.02  -0.04   1.41     1.34
1d0jK1 ALA 233 H      0.00   0.18   0.11  -0.55   8.40     8.14
1d0jK1 ALA 233 HA     0.00   0.15   0.92  -0.75   4.34     4.65
1d0jK1 ALA 233 HB3    0.00   0.00   0.01  -0.04   1.41     1.38
1d0jK1 GLN 234 H      0.00   0.09   0.10  -0.55   8.47     8.12
1d0jK1 GLN 234 HA     0.00   0.06   0.40  -0.75   4.36     4.06
1d0jK1 GLN 234 HB2    0.00  -0.01   0.03  -0.04   2.15     2.13
1d0jK1 GLN 234 HB3    0.00   0.05   0.11  -0.04   2.02     2.14
1d0jK1 GLN 234 HG2    0.00   0.01   0.01  -0.04   2.40     2.38
1d0jK1 GLN 234 HG3    0.00  -0.01   0.06  -0.04   2.39     2.40
1d0jK1 GLN 234 HE21   0.00  -0.01   0.01  -0.04   6.97     6.93
1d0jK1 GLN 234 HE22   0.00  -0.00   0.01  -0.04   7.69     7.65
1d0jK1 GLU 235 H      0.00   0.08   0.17  -0.55   8.60     8.30
1d0jK1 GLU 235 HA     0.00   0.11   0.61  -0.75   4.29     4.26
1d0jK1 GLU 235 HB2    0.00   0.05   0.08  -0.04   2.09     2.17
1d0jK1 GLU 235 HB3    0.00  -0.01   0.11  -0.04   1.99     2.06
1d0jK1 GLU 235 HG2    0.00  -0.07   0.10  -0.04   2.34     2.33
1d0jK1 GLU 235 HG3    0.00   0.03  -0.26  -0.04   2.34     2.06
1d0jK1 GLU 236 H      0.00   0.13   0.06  -0.55   8.60     8.25
1d0jK1 GLU 236 HA     0.00   0.24   0.64  -0.75   4.29     4.41