=============================================================================
          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
=============================================================================
2bgrZ1 MET   1 HA     0.00  -0.11   0.18  -0.75   4.52     3.83
2bgrZ1 MET   1 HB2    0.00  -0.02   0.04  -0.04   2.15     2.13
2bgrZ1 MET   1 HB3    0.00   0.05  -0.07  -0.04   2.03     1.98
2bgrZ1 MET   1 HG2    0.00  -0.13   0.08  -0.04   2.63     2.54
2bgrZ1 MET   1 HG3    0.00  -0.01   0.05  -0.04   2.56     2.55
2bgrZ1 MET   1 HE3    0.00  -0.00   0.01  -0.04   2.10     2.06
2bgrZ1 ASP   2 H      0.00   0.02   0.05  -0.55   8.40     7.92
2bgrZ1 ASP   2 HA     0.00   0.02   0.38  -0.75   4.63     4.28
2bgrZ1 ASP   2 HB2    0.00   0.02   0.01  -0.04   2.71     2.70
2bgrZ1 ASP   2 HB3    0.00  -0.01   0.02  -0.04   2.70     2.67
2bgrZ1 PRO   3 HA     0.00   0.23   0.44  -0.51   4.44     4.60
2bgrZ1 PRO   3 HB2    0.00   0.00   0.08  -0.04   2.28     2.32
2bgrZ1 PRO   3 HB3    0.00   0.06   0.05  -0.04   2.02     2.09
2bgrZ1 PRO   3 HG2    0.00   0.01   0.06  -0.04   2.03     2.06
2bgrZ1 PRO   3 HG3    0.00   0.03   0.04  -0.04   2.03     2.06
2bgrZ1 PRO   3 HD2    0.00   0.05   0.13  -0.04   3.68     3.82
2bgrZ1 PRO   3 HD3    0.00   0.12   0.08  -0.04   3.65     3.80