=============================================================================
          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    26.579  19.213  23.682  -99.200  -91.000
      TRP6  5     1.020    24.287  19.064  23.291  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA20 GLY   1 HA2    0.05  -0.04   0.11  -0.51   4.01     3.62
1qfbA20 GLY   1 HA3    0.05  -0.03   0.19  -0.51   4.01     3.71
1qfbA20 CYS   2 H      0.07   0.15   0.02  -0.55   8.50     8.19
1qfbA20 CYS   2 HA     0.20   0.23   0.49  -0.75   4.58     4.76
1qfbA20 CYS   2 HB2    0.09  -0.00   0.07  -0.04   2.97     3.09
1qfbA20 CYS   2 HB3    0.18   0.02  -0.02  -0.04   2.97     3.11
1qfbA20 GLU   5 H     -0.22   0.21   0.17  -0.55   8.60     8.22
1qfbA20 GLU   5 HA    -0.54  -0.01   0.22  -0.75   4.29     3.21
1qfbA20 GLU   5 HB2   -3.58   0.03   0.01  -0.04   2.09    -1.49
1qfbA20 GLU   5 HB3   -2.93  -0.08   0.01  -0.04   1.99    -1.04
1qfbA20 GLU   5 HG2   -0.58  -0.01   0.07  -0.04   2.34     1.78
1qfbA20 GLU   5 HG3   -0.55   0.05   0.08  -0.04   2.34     1.87
1qfbA20 PRO   6 HA     0.00   0.13   0.25  -0.51   4.44     4.31
1qfbA20 PRO   6 HB2   -0.01   0.05   0.09  -0.04   2.28     2.37
1qfbA20 PRO   6 HB3   -0.09   0.03   0.07  -0.04   2.02     2.00
1qfbA20 PRO   6 HG2   -0.06   0.08  -0.11  -0.04   2.03     1.90
1qfbA20 PRO   6 HG3   -0.16   0.06   0.04  -0.04   2.03     1.94
1qfbA20 PRO   6 HD2   -0.97   0.11   0.11  -0.04   3.68     2.89
1qfbA20 PRO   6 HD3   -0.51   0.17   0.21  -0.04   3.65     3.48
1qfbA20 TRP   7 H      0.19   0.12  -0.34  -0.55   7.97     7.39
1qfbA20 TRP   7 HA     0.00   0.19   0.61  -0.75   4.62     4.67
1qfbA20 TRP   7 HB2    0.00   0.04   0.11  -0.04   3.23     3.34
1qfbA20 TRP   7 HB3    0.00  -0.00  -0.01  -0.04   3.23     3.18
1qfbA20 TRP   7 HD1    0.00   0.00  -0.01  -0.04   7.22     7.17
1qfbA20 TRP   7 HE1    0.00   0.01  -0.03  -0.04  10.20    10.14
1qfbA20 TRP   7 HE3    0.00  -0.13  -0.43  -0.04   7.59     6.99
1qfbA20 TRP   7 HZ2    0.00   0.03  -0.03  -0.04   7.44     7.39
1qfbA20 TRP   7 HZ3    0.00   0.01  -0.22  -0.04   7.13     6.87
1qfbA20 TRP   7 HH2    0.00   0.21  -0.08  -0.04   7.19     7.28
1qfbA20 CYS   8 H      0.58   0.16  -0.48  -0.55   8.50     8.21
1qfbA20 CYS   8 HA    -0.04   0.17   0.39  -0.75   4.58     4.35
1qfbA20 CYS   8 HB2    0.52   0.05  -0.08  -0.04   2.97     3.42
1qfbA20 CYS   8 HB3    0.20   0.02   0.02  -0.04   2.97     3.17