=============================================================================
          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
=============================================================================
1a3iC1 PRO  61 HA     0.00  -0.07   0.18  -0.51   4.44     4.04
1a3iC1 PRO  61 HB2    0.00   0.11  -0.01  -0.04   2.28     2.34
1a3iC1 PRO  61 HB3    0.00  -0.07   0.05  -0.04   2.02     1.96
1a3iC1 PRO  61 HG2    0.00   0.03  -0.06  -0.04   2.03     1.96
1a3iC1 PRO  61 HG3    0.00  -0.04  -0.01  -0.04   2.03     1.94
1a3iC1 PRO  61 HD2    0.00  -0.03   0.02  -0.04   3.68     3.63
1a3iC1 PRO  61 HD3    0.00  -0.03   0.02  -0.04   3.65     3.60
1a3iC1 PRO  62 HA     0.00  -0.04   0.47  -0.51   4.44     4.36
1a3iC1 PRO  62 HB2    0.00   0.08   0.05  -0.04   2.28     2.37
1a3iC1 PRO  62 HB3    0.00  -0.01   0.09  -0.04   2.02     2.06
1a3iC1 PRO  62 HG2    0.00   0.02   0.07  -0.04   2.03     2.07
1a3iC1 PRO  62 HG3    0.00   0.01   0.07  -0.04   2.03     2.07
1a3iC1 PRO  62 HD2    0.00   0.10   0.16  -0.04   3.68     3.90
1a3iC1 PRO  62 HD3    0.00   0.07   0.14  -0.04   3.65     3.82
1a3iC1 GLY  63 H      0.00  -0.01   0.15  -0.55   8.43     8.02
1a3iC1 GLY  63 HA2    0.00   0.10   0.44  -0.51   4.01     4.03
1a3iC1 GLY  63 HA3    0.00  -0.01   0.37  -0.51   4.01     3.85
1a3iC1 PRO  64 HA     0.00   0.11   0.52  -0.51   4.44     4.56
1a3iC1 PRO  64 HB2    0.00   0.12   0.08  -0.04   2.28     2.44
1a3iC1 PRO  64 HB3    0.00  -0.03   0.11  -0.04   2.02     2.06
1a3iC1 PRO  64 HG2    0.00   0.06   0.00  -0.04   2.03     2.05
1a3iC1 PRO  64 HG3    0.00  -0.01   0.06  -0.04   2.03     2.04
1a3iC1 PRO  64 HD2    0.00   0.02   0.21  -0.04   3.68     3.87
1a3iC1 PRO  64 HD3    0.00   0.12   0.16  -0.04   3.65     3.89
1a3iC1 PRO  65 HA     0.00   0.05   0.48  -0.51   4.44     4.45
1a3iC1 PRO  65 HB2    0.00   0.08   0.05  -0.04   2.28     2.36
1a3iC1 PRO  65 HB3    0.00  -0.00   0.10  -0.04   2.02     2.08
1a3iC1 PRO  65 HG2    0.00   0.04   0.03  -0.04   2.03     2.06
1a3iC1 PRO  65 HG3    0.00   0.01   0.06  -0.04   2.03     2.06
1a3iC1 PRO  65 HD2    0.00   0.05   0.21  -0.04   3.68     3.91
1a3iC1 PRO  65 HD3    0.00   0.14   0.16  -0.04   3.65     3.91
1a3iC1 GLY  66 H      0.00   0.04   0.05  -0.55   8.43     7.98
1a3iC1 GLY  66 HA2    0.00   0.21   0.39  -0.51   4.01     4.10
1a3iC1 GLY  66 HA3    0.00   0.03   0.18  -0.51   4.01     3.71