=============================================================================
          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    26.969  21.879  17.153  -99.200  -91.000
      TRP6  5     1.020    24.734  22.490  17.376  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA11 GLY   1 HA2    0.03  -0.07   0.17  -0.51   4.01     3.64
1qfbA11 GLY   1 HA3    0.08  -0.03   0.12  -0.51   4.01     3.68
1qfbA11 CYS   2 H      0.07   0.17   0.01  -0.55   8.50     8.20
1qfbA11 CYS   2 HA     0.22   0.23  -0.18  -0.75   4.58     4.09
1qfbA11 CYS   2 HB2    0.06  -0.02   0.05  -0.04   2.97     3.02
1qfbA11 CYS   2 HB3    0.11   0.02   0.10  -0.04   2.97     3.16
1qfbA11 GLU   5 H     -0.15   0.23   0.18  -0.55   8.60     8.31
1qfbA11 GLU   5 HA    -0.54  -0.02   0.21  -0.75   4.29     3.19
1qfbA11 GLU   5 HB2   -3.30   0.10   0.06  -0.04   2.09    -1.10
1qfbA11 GLU   5 HB3   -3.39  -0.17  -0.02  -0.04   1.99    -1.63
1qfbA11 GLU   5 HG2   -0.65  -0.01   0.08  -0.04   2.34     1.71
1qfbA11 GLU   5 HG3   -0.68   0.03   0.06  -0.04   2.34     1.70
1qfbA11 PRO   6 HA    -0.00   0.13   0.37  -0.51   4.44     4.43
1qfbA11 PRO   6 HB2   -0.01   0.05   0.09  -0.04   2.28     2.37
1qfbA11 PRO   6 HB3   -0.08   0.03   0.10  -0.04   2.02     2.02
1qfbA11 PRO   6 HG2   -0.14   0.06  -0.09  -0.04   2.03     1.83
1qfbA11 PRO   6 HG3   -0.17   0.06   0.04  -0.04   2.03     1.91
1qfbA11 PRO   6 HD2   -0.93   0.12   0.15  -0.04   3.68     2.98
1qfbA11 PRO   6 HD3   -0.40   0.16   0.19  -0.04   3.65     3.55
1qfbA11 TRP   7 H      0.15   0.08  -0.50  -0.55   7.97     7.15
1qfbA11 TRP   7 HA     0.00   0.21   0.70  -0.75   4.62     4.77
1qfbA11 TRP   7 HB2    0.00   0.02   0.13  -0.04   3.23     3.34
1qfbA11 TRP   7 HB3    0.00  -0.01  -0.03  -0.04   3.23     3.15
1qfbA11 TRP   7 HD1    0.00  -0.01  -0.01  -0.04   7.22     7.16
1qfbA11 TRP   7 HE1    0.00   0.00  -0.02  -0.04  10.20    10.14
1qfbA11 TRP   7 HE3    0.00  -0.08  -0.46  -0.04   7.59     7.02
1qfbA11 TRP   7 HZ2    0.00   0.00  -0.01  -0.04   7.44     7.39
1qfbA11 TRP   7 HZ3    0.00   0.01  -0.17  -0.04   7.13     6.92
1qfbA11 TRP   7 HH2    0.00   0.40   0.02  -0.04   7.19     7.56
1qfbA11 CYS   8 H      0.53   0.18  -0.45  -0.55   8.50     8.21
1qfbA11 CYS   8 HA    -0.02   0.13   0.19  -0.75   4.58     4.13
1qfbA11 CYS   8 HB2    0.18   0.02   0.03  -0.04   2.97     3.15
1qfbA11 CYS   8 HB3    0.10  -0.01   0.02  -0.04   2.97     3.03