=============================================================================
          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
=============================================================================
3sgaP1 PRO   4 HA     0.00  -0.08   0.21  -0.51   4.44     4.06
3sgaP1 PRO   4 HB2    0.00   0.00  -0.04  -0.04   2.28     2.20
3sgaP1 PRO   4 HB3    0.00  -0.02   0.05  -0.04   2.02     2.01
3sgaP1 PRO   4 HG2    0.00  -0.01  -0.03  -0.04   2.03     1.95
3sgaP1 PRO   4 HG3    0.00  -0.02   0.01  -0.04   2.03     1.98
3sgaP1 PRO   4 HD2    0.00  -0.01   0.06  -0.04   3.68     3.69
3sgaP1 PRO   4 HD3    0.00  -0.02   0.04  -0.04   3.65     3.63
3sgaP1 ALA   3 H      0.00   0.23   0.16  -0.55   8.40     8.24
3sgaP1 ALA   3 HA     0.00   0.18   0.66  -0.75   4.34     4.43
3sgaP1 ALA   3 HB3    0.00   0.02  -0.01  -0.04   1.41     1.39
3sgaP1 PRO   2 HA     0.00   0.13   0.27  -0.51   4.44     4.33
3sgaP1 PRO   2 HB2    0.00   0.03   0.07  -0.04   2.28     2.35
3sgaP1 PRO   2 HB3    0.00   0.04   0.06  -0.04   2.02     2.07
3sgaP1 PRO   2 HG2    0.00   0.04   0.07  -0.04   2.03     2.09
3sgaP1 PRO   2 HG3    0.00   0.05   0.05  -0.04   2.03     2.10
3sgaP1 PRO   2 HD2    0.00   0.12   0.17  -0.04   3.68     3.92
3sgaP1 PRO   2 HD3    0.00   0.17   0.14  -0.04   3.65     3.92