=============================================================================
          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
=============================================================================
1tl9B1 LEU 356 HA     0.00  -0.10   0.21  -0.75   4.35     3.71
1tl9B1 LEU 356 HB2    0.00  -0.03   0.01  -0.04   1.64     1.58
1tl9B1 LEU 356 HB3    0.00   0.04  -0.04  -0.04   1.64     1.60
1tl9B1 LEU 356 HG     0.00  -0.01   0.03  -0.04   1.64     1.62
1tl9B1 LEU 356 HD13   0.00  -0.00  -0.01  -0.04   0.93     0.88
1tl9B1 LEU 356 HD23   0.00  -0.00   0.03  -0.04   0.89     0.88
1tl9B1 LEU 357 H      0.00   0.11   0.11  -0.55   8.37     8.05
1tl9B1 LEU 357 HA     0.00   0.16   0.87  -0.75   4.35     4.63
1tl9B1 LEU 357 HB2    0.00  -0.00   0.06  -0.04   1.64     1.65
1tl9B1 LEU 357 HB3    0.00  -0.04   0.06  -0.04   1.64     1.62
1tl9B1 LEU 357 HG     0.00  -0.01  -0.06  -0.04   1.64     1.54
1tl9B1 LEU 357 HD13   0.00  -0.00  -0.01  -0.04   0.93     0.88
1tl9B1 LEU 357 HD23   0.00   0.04  -0.09  -0.04   0.89     0.80
1tl9B1 ARG 358 H      0.00   0.14   0.05  -0.55   8.46     8.10
1tl9B1 ARG 358 HA     0.00   0.27   0.75  -0.75   4.34     4.60
1tl9B1 ARG 358 HB2    0.00   0.01   0.06  -0.04   1.90     1.93
1tl9B1 ARG 358 HB3    0.00   0.01   0.06  -0.04   1.80     1.82
1tl9B1 ARG 358 HG2    0.00   0.03  -0.04  -0.04   1.67     1.62
1tl9B1 ARG 358 HG3    0.00   0.04  -0.23  -0.04   1.67     1.43
1tl9B1 ARG 358 HD2    0.00   0.01  -0.04  -0.04   3.22     3.15
1tl9B1 ARG 358 HD3    0.00   0.00  -0.02  -0.04   3.22     3.16