=============================================================================
          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    26.457  19.372  23.459  -99.200  -91.000
      TRP6  5     1.020    24.230  19.061  22.879  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA16 GLY   1 HA2    0.05  -0.04   0.13  -0.51   4.01     3.63
1qfbA16 GLY   1 HA3    0.04  -0.04   0.18  -0.51   4.01     3.69
1qfbA16 CYS   2 H      0.07   0.15   0.05  -0.55   8.50     8.22
1qfbA16 CYS   2 HA     0.19   0.24   1.44  -0.75   4.58     5.69
1qfbA16 CYS   2 HB2    0.10   0.00   0.09  -0.04   2.97     3.12
1qfbA16 CYS   2 HB3    0.20   0.03  -0.24  -0.04   2.97     2.92
1qfbA16 GLU   5 H     -0.19   0.21   0.16  -0.55   8.60     8.23
1qfbA16 GLU   5 HA    -0.53  -0.01   0.22  -0.75   4.29     3.22
1qfbA16 GLU   5 HB2   -3.42   0.03   0.03  -0.04   2.09    -1.31
1qfbA16 GLU   5 HB3   -3.06  -0.09   0.00  -0.04   1.99    -1.20
1qfbA16 GLU   5 HG2   -0.57  -0.01   0.07  -0.04   2.34     1.79
1qfbA16 GLU   5 HG3   -0.59   0.05   0.04  -0.04   2.34     1.79
1qfbA16 PRO   6 HA     0.01   0.13   0.25  -0.51   4.44     4.31
1qfbA16 PRO   6 HB2   -0.00   0.05   0.07  -0.04   2.28     2.36
1qfbA16 PRO   6 HB3   -0.08   0.04   0.07  -0.04   2.02     2.00
1qfbA16 PRO   6 HG2   -0.06   0.08  -0.09  -0.04   2.03     1.92
1qfbA16 PRO   6 HG3   -0.15   0.07   0.04  -0.04   2.03     1.94
1qfbA16 PRO   6 HD2   -0.94   0.11   0.11  -0.04   3.68     2.92
1qfbA16 PRO   6 HD3   -0.49   0.16   0.20  -0.04   3.65     3.48
1qfbA16 TRP   7 H      0.19   0.12  -0.34  -0.55   7.97     7.40
1qfbA16 TRP   7 HA     0.00   0.18   0.62  -0.75   4.62     4.67
1qfbA16 TRP   7 HB2    0.00   0.04   0.12  -0.04   3.23     3.35
1qfbA16 TRP   7 HB3    0.00  -0.01   0.00  -0.04   3.23     3.18
1qfbA16 TRP   7 HD1    0.00   0.00  -0.01  -0.04   7.22     7.17
1qfbA16 TRP   7 HE1    0.00   0.01  -0.02  -0.04  10.20    10.15
1qfbA16 TRP   7 HE3    0.00  -0.09  -0.49  -0.04   7.59     6.96
1qfbA16 TRP   7 HZ2    0.00   0.03  -0.03  -0.04   7.44     7.39
1qfbA16 TRP   7 HZ3    0.00   0.01  -0.07  -0.04   7.13     7.04
1qfbA16 TRP   7 HH2    0.00   0.16  -0.04  -0.04   7.19     7.26
1qfbA16 CYS   8 H      0.55   0.16  -0.56  -0.55   8.50     8.10
1qfbA16 CYS   8 HA    -0.03   0.18   0.48  -0.75   4.58     4.46
1qfbA16 CYS   8 HB2    0.55   0.05  -0.05  -0.04   2.97     3.48
1qfbA16 CYS   8 HB3    0.20   0.02  -0.00  -0.04   2.97     3.15