=============================================================================
          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
=============================================================================
3f7oY1 ALA   2 HA     0.00  -0.05   0.16  -0.75   4.34     3.69
3f7oY1 ALA   2 HB3    0.00  -0.02   0.02  -0.04   1.41     1.37
3f7oY1 ALA   3 H      0.00   0.29   0.16  -0.55   8.40     8.31
3f7oY1 ALA   3 HA     0.00   0.12   0.54  -0.75   4.34     4.24
3f7oY1 ALA   3 HB3    0.00   0.02  -0.04  -0.04   1.41     1.35
3f7oY1 PRO   4 HA     0.00   0.09   0.72  -0.51   4.44     4.74
3f7oY1 PRO   4 HB2    0.00  -0.00   0.03  -0.04   2.28     2.26
3f7oY1 PRO   4 HB3    0.00   0.04   0.08  -0.04   2.02     2.09
3f7oY1 PRO   4 HG2    0.00   0.02   0.11  -0.04   2.03     2.13
3f7oY1 PRO   4 HG3    0.00   0.04   0.07  -0.04   2.03     2.10
3f7oY1 PRO   4 HD2    0.00   0.12   0.23  -0.04   3.68     3.99
3f7oY1 PRO   4 HD3    0.00   0.13   0.08  -0.04   3.65     3.82
3f7oY1 VAL   5 H      0.00   0.13   0.08  -0.55   8.24     7.90
3f7oY1 VAL   5 HA     0.00   0.30   0.79  -0.75   4.13     4.46
3f7oY1 VAL   5 HB     0.00   0.00   0.06  -0.04   2.12     2.14
3f7oY1 VAL   5 HG13   0.00   0.03  -0.12  -0.04   0.97     0.84
3f7oY1 VAL   5 HG23   0.00   0.01   0.07  -0.04   0.95     0.99