=============================================================================
          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
=============================================================================
2ghqC1 PRO 172 HA     0.00  -0.03   0.21  -0.51   4.44     4.11
2ghqC1 PRO 172 HB2    0.00  -0.03  -0.06  -0.04   2.28     2.15
2ghqC1 PRO 172 HB3    0.00  -0.01   0.02  -0.04   2.02     1.99
2ghqC1 PRO 172 HG2    0.00  -0.01   0.02  -0.04   2.03     1.99
2ghqC1 PRO 172 HG3    0.00   0.00   0.04  -0.04   2.03     2.03
2ghqC1 PRO 172 HD2    0.00  -0.06   0.06  -0.04   3.68     3.64
2ghqC1 PRO 172 HD3    0.00   0.00   0.04  -0.04   3.65     3.65
2ghqC1 THR 173 H      0.00   0.09   0.02  -0.55   8.28     7.85
2ghqC1 THR 173 HA     0.00   0.16   0.49  -0.75   4.39     4.29
2ghqC1 THR 173 HB     0.00   0.04   0.10  -0.04   4.32     4.41
2ghqC1 THR 173 HG23   0.00  -0.00  -0.01  -0.04   1.22     1.17
2ghqC1 PRO 175 HA     0.00   0.00  -0.18  -0.51   4.44     3.75
2ghqC1 PRO 175 HB2    0.00  -0.02   0.06  -0.04   2.28     2.27
2ghqC1 PRO 175 HB3    0.00  -0.01   0.04  -0.04   2.02     2.01
2ghqC1 PRO 175 HG2    0.00  -0.03   0.03  -0.04   2.03     1.99
2ghqC1 PRO 175 HG3    0.00   0.04   0.18  -0.04   2.03     2.21
2ghqC1 PRO 175 HD2    0.00  -0.05  -0.09  -0.04   3.68     3.50
2ghqC1 PRO 175 HD3    0.00   0.09  -1.06  -0.04   3.65     2.64