=============================================================================
          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
=============================================================================
1janI1 PRO   1 HA     0.00  -0.04   0.14  -0.51   4.44     4.03
1janI1 PRO   1 HB2    0.00   0.01  -0.04  -0.04   2.28     2.20
1janI1 PRO   1 HB3    0.00  -0.01   0.04  -0.04   2.02     2.01
1janI1 PRO   1 HG2    0.00  -0.02  -0.14  -0.04   2.03     1.83
1janI1 PRO   1 HG3    0.00  -0.01  -0.03  -0.04   2.03     1.95
1janI1 PRO   1 HD2    0.00  -0.01   0.00  -0.04   3.68     3.63
1janI1 PRO   1 HD3    0.00  -0.00   0.01  -0.04   3.65     3.62
1janI1 LEU   2 H      0.00   0.20   0.08  -0.55   8.37     8.11
1janI1 LEU   2 HA     0.00   0.13   0.80  -0.75   4.35     4.53
1janI1 LEU   2 HB2    0.00  -0.02   0.13  -0.04   1.64     1.70
1janI1 LEU   2 HB3    0.00   0.07   0.03  -0.04   1.64     1.69
1janI1 LEU   2 HG     0.00  -0.16  -0.28  -0.04   1.64     1.15
1janI1 LEU   2 HD13   0.00   0.00  -0.01  -0.04   0.93     0.88
1janI1 LEU   2 HD23   0.00   0.03  -0.06  -0.04   0.89     0.83
1janI1 GLY   3 H      0.00   0.16   0.03  -0.55   8.43     8.07
1janI1 GLY   3 HA2    0.00   0.13   0.31  -0.51   4.01     3.94
1janI1 GLY   3 HA3    0.00   0.06   0.17  -0.51   4.01     3.73