=============================================================================
          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
=============================================================================
1ghbP1 PRO 571 HA     0.00  -0.07   0.16  -0.51   4.44     4.02
1ghbP1 PRO 571 HB2    0.00   0.02  -0.04  -0.04   2.28     2.22
1ghbP1 PRO 571 HB3    0.00   0.05   0.10  -0.04   2.02     2.13
1ghbP1 PRO 571 HG2    0.00   0.00   0.01  -0.04   2.03     2.01
1ghbP1 PRO 571 HG3    0.00  -0.01   0.04  -0.04   2.03     2.02
1ghbP1 PRO 571 HD2    0.00   0.00   0.01  -0.04   3.68     3.65
1ghbP1 PRO 571 HD3    0.00  -0.01   0.03  -0.04   3.65     3.63
1ghbP1 GLY 572 H      0.00   0.23   0.11  -0.55   8.43     8.23
1ghbP1 GLY 572 HA2    0.00   0.05   0.36  -0.51   4.01     3.91
1ghbP1 GLY 572 HA3    0.00   0.08   0.37  -0.51   4.01     3.95
1ghbP1 ALA 573 H      0.00   0.05   0.05  -0.55   8.40     7.95
1ghbP1 ALA 573 HA     0.00   0.26   0.64  -0.75   4.34     4.49
1ghbP1 ALA 573 HB3    0.00   0.03   0.04  -0.04   1.41     1.44