=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       TRP  5     1.040    27.183  22.174  17.332  -99.200  -91.000
      TRP6  5     1.020    25.019  22.990  17.568  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA12 GLY   1 HA2    0.07  -0.02   0.13  -0.51   4.01     3.68
1qfbA12 GLY   1 HA3    0.07  -0.05   0.19  -0.51   4.01     3.72
1qfbA12 CYS   2 H      0.08   0.26   0.02  -0.55   8.50     8.30
1qfbA12 CYS   2 HA     0.21   0.21  -0.19  -0.75   4.58     4.06
1qfbA12 CYS   2 HB2    0.09   0.01   0.04  -0.04   2.97     3.06
1qfbA12 CYS   2 HB3    0.13   0.01   0.07  -0.04   2.97     3.13
1qfbA12 GLU   5 H     -0.21   0.27   0.20  -0.55   8.60     8.31
1qfbA12 GLU   5 HA    -0.55  -0.02   0.23  -0.75   4.29     3.19
1qfbA12 GLU   5 HB2   -3.04   0.08   0.05  -0.04   2.09    -0.87
1qfbA12 GLU   5 HB3   -3.48  -0.15  -0.02  -0.04   1.99    -1.71
1qfbA12 GLU   5 HG2   -0.63  -0.01   0.08  -0.04   2.34     1.74
1qfbA12 GLU   5 HG3   -0.62   0.02   0.05  -0.04   2.34     1.76
1qfbA12 PRO   6 HA     0.00   0.15   0.36  -0.51   4.44     4.44
1qfbA12 PRO   6 HB2   -0.00   0.05   0.07  -0.04   2.28     2.36
1qfbA12 PRO   6 HB3   -0.08   0.03   0.08  -0.04   2.02     2.00
1qfbA12 PRO   6 HG2   -0.08   0.08  -0.06  -0.04   2.03     1.93
1qfbA12 PRO   6 HG3   -0.15   0.06   0.05  -0.04   2.03     1.94
1qfbA12 PRO   6 HD2   -0.97   0.10   0.15  -0.04   3.68     2.92
1qfbA12 PRO   6 HD3   -0.46   0.16   0.21  -0.04   3.65     3.51
1qfbA12 TRP   7 H      0.11   0.10  -0.27  -0.55   7.97     7.36
1qfbA12 TRP   7 HA     0.00   0.18   0.53  -0.75   4.62     4.57
1qfbA12 TRP   7 HB2    0.00   0.03   0.13  -0.04   3.23     3.35
1qfbA12 TRP   7 HB3    0.00  -0.01   0.01  -0.04   3.23     3.19
1qfbA12 TRP   7 HD1    0.00  -0.00  -0.00  -0.04   7.22     7.17
1qfbA12 TRP   7 HE1    0.00   0.01  -0.02  -0.04  10.20    10.15
1qfbA12 TRP   7 HE3    0.00  -0.16  -0.44  -0.04   7.59     6.95
1qfbA12 TRP   7 HZ2    0.00  -0.01  -0.01  -0.04   7.44     7.38
1qfbA12 TRP   7 HZ3    0.00   0.05  -0.26  -0.04   7.13     6.88
1qfbA12 TRP   7 HH2    0.00   0.34   0.05  -0.04   7.19     7.53
1qfbA12 CYS   8 H      0.60   0.14  -0.61  -0.55   8.50     8.08
1qfbA12 CYS   8 HA    -0.01   0.09   0.02  -0.75   4.58     3.92
1qfbA12 CYS   8 HB2    0.15   0.03  -0.04  -0.04   2.97     3.06
1qfbA12 CYS   8 HB3    0.09   0.01  -0.02  -0.04   2.97     3.01