=============================================================================
          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
=============================================================================
1qjjB1 PRO 301 HA     0.00  -0.05   0.16  -0.51   4.44     4.04
1qjjB1 PRO 301 HB2    0.00   0.01   0.02  -0.04   2.28     2.26
1qjjB1 PRO 301 HB3    0.00  -0.02   0.04  -0.04   2.02     2.01
1qjjB1 PRO 301 HG2    0.00  -0.01  -0.25  -0.04   2.03     1.73
1qjjB1 PRO 301 HG3    0.00  -0.01  -0.05  -0.04   2.03     1.92
1qjjB1 PRO 301 HD2    0.00  -0.02   0.00  -0.04   3.68     3.62
1qjjB1 PRO 301 HD3    0.00  -0.01   0.01  -0.04   3.65     3.62
1qjjB1 LEU 302 H      0.00   0.14   0.11  -0.55   8.37     8.07
1qjjB1 LEU 302 HA     0.00   0.21   1.00  -0.75   4.35     4.80
1qjjB1 LEU 302 HB2    0.00  -0.04  -0.03  -0.04   1.64     1.54
1qjjB1 LEU 302 HB3    0.00   0.01   0.04  -0.04   1.64     1.65
1qjjB1 LEU 302 HG     0.00  -0.08   0.09  -0.04   1.64     1.62
1qjjB1 LEU 302 HD13   0.00   0.01  -0.01  -0.04   0.93     0.88
1qjjB1 LEU 302 HD23   0.00   0.03  -0.05  -0.04   0.89     0.82
1qjjB1 GLY 303 H      0.00   0.14   0.07  -0.55   8.43     8.09
1qjjB1 GLY 303 HA2    0.00   0.15   0.33  -0.51   4.01     3.98
1qjjB1 GLY 303 HA3    0.00   0.05   0.19  -0.51   4.01     3.75