=============================================================================
          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
=============================================================================
2c63S1 ILE   3 HA     0.00   0.00   0.03  -0.75   4.18     3.46
2c63S1 ILE   3 HB     0.00  -0.02   0.01  -0.04   1.89     1.84
2c63S1 ILE   3 HG12   0.00  -0.01   0.00  -0.04   1.49     1.44
2c63S1 ILE   3 HG13   0.00  -0.02  -0.01  -0.04   1.21     1.14
2c63S1 ILE   3 HG23   0.00   0.01  -0.08  -0.04   0.93     0.82
2c63S1 ILE   3 HD13   0.00   0.00  -0.01  -0.04   0.88     0.83
2c63S1 LEU   5 HA     0.00  -0.01   0.18  -0.75   4.35     3.76
2c63S1 LEU   5 HB2    0.00   0.00   0.12  -0.04   1.64     1.72
2c63S1 LEU   5 HB3    0.00  -0.02   0.09  -0.04   1.64     1.66
2c63S1 LEU   5 HG     0.00  -0.07  -0.18  -0.04   1.64     1.35
2c63S1 LEU   5 HD13   0.00   0.00   0.02  -0.04   0.93     0.91
2c63S1 LEU   5 HD23   0.00  -0.00  -0.03  -0.04   0.89     0.81
2c63S1 PRO   6 HA     0.00   0.11   0.28  -0.51   4.44     4.32
2c63S1 PRO   6 HB2    0.00   0.01   0.05  -0.04   2.28     2.29
2c63S1 PRO   6 HB3    0.00   0.02   0.06  -0.04   2.02     2.06
2c63S1 PRO   6 HG2    0.00   0.01   0.03  -0.04   2.03     2.03
2c63S1 PRO   6 HG3    0.00   0.04   0.02  -0.04   2.03     2.04
2c63S1 PRO   6 HD2    0.00   0.08   0.09  -0.04   3.68     3.81
2c63S1 PRO   6 HD3    0.00   0.16   0.02  -0.04   3.65     3.78