=============================================================================
          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
=============================================================================
1ay6J1 PRO   6 HA     0.00  -0.10   0.20  -0.51   4.44     4.03
1ay6J1 PRO   6 HB2    0.00  -0.01  -0.07  -0.04   2.28     2.16
1ay6J1 PRO   6 HB3    0.00  -0.02   0.04  -0.04   2.02     2.00
1ay6J1 PRO   6 HG2    0.00   0.01   0.02  -0.04   2.03     2.01
1ay6J1 PRO   6 HG3    0.00  -0.00   0.02  -0.04   2.03     2.01
1ay6J1 PRO   6 HD2    0.00   0.01   0.04  -0.04   3.68     3.69
1ay6J1 PRO   6 HD3    0.00  -0.00   0.03  -0.04   3.65     3.64
1ay6J1 ARG   7 H      0.00   0.09   0.00  -0.55   8.46     8.00
1ay6J1 ARG   7 HA     0.00   0.29   0.80  -0.75   4.34     4.68
1ay6J1 ARG   7 HB2    0.00  -0.01   0.07  -0.04   1.90     1.92
1ay6J1 ARG   7 HB3    0.00   0.02   0.06  -0.04   1.80     1.84
1ay6J1 ARG   7 HG2    0.00   0.04  -0.00  -0.04   1.67     1.67
1ay6J1 ARG   7 HG3    0.00   0.00  -0.16  -0.04   1.67     1.47
1ay6J1 ARG   7 HD2    0.00  -0.01  -0.01  -0.04   3.22     3.15
1ay6J1 ARG   7 HD3    0.00  -0.00   0.00  -0.04   3.22     3.18