=============================================================================
          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
=============================================================================
2wpjL1 PRO   2 HA     0.00  -0.15   0.23  -0.51   4.44     4.01
2wpjL1 PRO   2 HB2    0.00  -0.03  -0.04  -0.04   2.28     2.17
2wpjL1 PRO   2 HB3    0.00  -0.00   0.04  -0.04   2.02     2.02
2wpjL1 PRO   2 HG2    0.00   0.01   0.06  -0.04   2.03     2.06
2wpjL1 PRO   2 HG3    0.00   0.00   0.02  -0.04   2.03     2.01
2wpjL1 PRO   2 HD2    0.00   0.01   0.05  -0.04   3.68     3.70
2wpjL1 PRO   2 HD3    0.00  -0.00   0.04  -0.04   3.65     3.64
2wpjL1 ARG   3 H      0.00   0.10   0.00  -0.55   8.46     8.01
2wpjL1 ARG   3 HA     0.00   0.27   0.72  -0.75   4.34     4.57
2wpjL1 ARG   3 HB2    0.00  -0.01   0.08  -0.04   1.90     1.93
2wpjL1 ARG   3 HB3    0.00   0.03   0.06  -0.04   1.80     1.85
2wpjL1 ARG   3 HG2    0.00   0.05  -0.05  -0.04   1.67     1.63
2wpjL1 ARG   3 HG3    0.00  -0.04  -0.19  -0.04   1.67     1.41
2wpjL1 ARG   3 HD2    0.00  -0.01  -0.01  -0.04   3.22     3.16
2wpjL1 ARG   3 HD3    0.00   0.00   0.00  -0.04   3.22     3.18