=============================================================================
          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
=============================================================================
1tmbT1 ALA  45 HA     0.00  -0.05   0.20  -0.75   4.34     3.74
1tmbT1 ALA  45 HB3    0.00  -0.02  -0.01  -0.04   1.41     1.34
1tmbT1 PRO  46 HA     0.00   0.02   0.40  -0.51   4.44     4.35
1tmbT1 PRO  46 HB2    0.00  -0.01   0.03  -0.04   2.28     2.26
1tmbT1 PRO  46 HB3    0.00   0.02   0.10  -0.04   2.02     2.10
1tmbT1 PRO  46 HG2    0.00   0.02   0.07  -0.04   2.03     2.08
1tmbT1 PRO  46 HG3    0.00   0.03   0.07  -0.04   2.03     2.09
1tmbT1 PRO  46 HD2    0.00   0.08   0.16  -0.04   3.68     3.88
1tmbT1 PRO  46 HD3    0.00   0.15   0.15  -0.04   3.65     3.91
1tmbT1 ARG  47 H      0.00   0.09   0.09  -0.55   8.46     8.09
1tmbT1 ARG  47 HA     0.00   0.30   0.69  -0.75   4.34     4.57
1tmbT1 ARG  47 HB2    0.00  -0.03   0.10  -0.04   1.90     1.93
1tmbT1 ARG  47 HB3    0.00  -0.02   0.07  -0.04   1.80     1.81
1tmbT1 ARG  47 HG2    0.00  -0.01  -0.01  -0.04   1.67     1.61
1tmbT1 ARG  47 HG3    0.00   0.22  -0.16  -0.04   1.67     1.69
1tmbT1 ARG  47 HD2    0.00  -0.02   0.01  -0.04   3.22     3.17
1tmbT1 ARG  47 HD3    0.00  -0.05   0.01  -0.04   3.22     3.14