=============================================================================
          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
=============================================================================
1tmtI1 PRO   2 HA     0.00  -0.10   0.17  -0.51   4.44     4.00
1tmtI1 PRO   2 HB2    0.00   0.05  -0.11  -0.04   2.28     2.18
1tmtI1 PRO   2 HB3    0.00  -0.03   0.03  -0.04   2.02     1.98
1tmtI1 PRO   2 HG2    0.00  -0.01   0.01  -0.04   2.03     1.99
1tmtI1 PRO   2 HG3    0.00  -0.02   0.03  -0.04   2.03     2.00
1tmtI1 PRO   2 HD2    0.00  -0.01   0.04  -0.04   3.68     3.68
1tmtI1 PRO   2 HD3    0.00  -0.02   0.03  -0.04   3.65     3.62
1tmtI1 ARG   3 H      0.00   0.07   0.00  -0.55   8.46     7.98
1tmtI1 ARG   3 HA     0.00   0.30   0.81  -0.75   4.34     4.70
1tmtI1 ARG   3 HB2    0.00  -0.02   0.05  -0.04   1.90     1.89
1tmtI1 ARG   3 HB3    0.00   0.02   0.06  -0.04   1.80     1.84
1tmtI1 ARG   3 HG2    0.00   0.03  -0.02  -0.04   1.67     1.64
1tmtI1 ARG   3 HG3    0.00   0.02  -0.32  -0.04   1.67     1.33
1tmtI1 ARG   3 HD2    0.00  -0.02  -0.04  -0.04   3.22     3.12
1tmtI1 ARG   3 HD3    0.00  -0.00  -0.01  -0.04   3.22     3.16