=============================================================================
          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    26.355  23.082  17.488  -99.200  -91.000
      TRP6  5     1.020    24.057  23.167  17.864  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA19 GLY   1 HA2    0.07  -0.04   0.18  -0.51   4.01     3.71
1qfbA19 GLY   1 HA3    0.04  -0.07   0.18  -0.51   4.01     3.65
1qfbA19 CYS   2 H      0.06   0.17   0.01  -0.55   8.50     8.19
1qfbA19 CYS   2 HA     0.22   0.23  -0.00  -0.75   4.58     4.27
1qfbA19 CYS   2 HB2    0.08  -0.00   0.08  -0.04   2.97     3.08
1qfbA19 CYS   2 HB3    0.16   0.03   0.08  -0.04   2.97     3.20
1qfbA19 GLU   5 H     -0.21   0.23   0.18  -0.55   8.60     8.26
1qfbA19 GLU   5 HA    -0.57  -0.02   0.22  -0.75   4.29     3.17
1qfbA19 GLU   5 HB2   -2.91   0.05   0.05  -0.04   2.09    -0.76
1qfbA19 GLU   5 HB3   -3.70  -0.17  -0.03  -0.04   1.99    -1.95
1qfbA19 GLU   5 HG2   -1.25  -0.02   0.03  -0.04   2.34     1.06
1qfbA19 GLU   5 HG3   -0.68   0.00   0.08  -0.04   2.34     1.70
1qfbA19 PRO   6 HA    -0.02   0.14   0.36  -0.51   4.44     4.41
1qfbA19 PRO   6 HB2   -0.02   0.06   0.07  -0.04   2.28     2.35
1qfbA19 PRO   6 HB3   -0.10   0.02   0.09  -0.04   2.02     1.99
1qfbA19 PRO   6 HG2   -0.12   0.07  -0.07  -0.04   2.03     1.87
1qfbA19 PRO   6 HG3   -0.18   0.05   0.04  -0.04   2.03     1.91
1qfbA19 PRO   6 HD2   -1.04   0.10   0.15  -0.04   3.68     2.85
1qfbA19 PRO   6 HD3   -0.47   0.16   0.20  -0.04   3.65     3.50
1qfbA19 TRP   7 H      0.04   0.07  -0.31  -0.55   7.97     7.22
1qfbA19 TRP   7 HA     0.00   0.18   0.57  -0.75   4.62     4.62
1qfbA19 TRP   7 HB2    0.00   0.02   0.12  -0.04   3.23     3.34
1qfbA19 TRP   7 HB3    0.00  -0.01   0.02  -0.04   3.23     3.20
1qfbA19 TRP   7 HD1    0.00   0.00  -0.01  -0.04   7.22     7.17
1qfbA19 TRP   7 HE1    0.00   0.01  -0.03  -0.04  10.20    10.14
1qfbA19 TRP   7 HE3    0.00  -0.07  -0.41  -0.04   7.59     7.07
1qfbA19 TRP   7 HZ2    0.00   0.01  -0.03  -0.04   7.44     7.38
1qfbA19 TRP   7 HZ3    0.00   0.03  -0.20  -0.04   7.13     6.92
1qfbA19 TRP   7 HH2    0.00   0.18  -0.07  -0.04   7.19     7.26
1qfbA19 CYS   8 H      0.60   0.13  -0.55  -0.55   8.50     8.13
1qfbA19 CYS   8 HA    -0.02   0.19   0.49  -0.75   4.58     4.48
1qfbA19 CYS   8 HB2    0.45   0.02  -0.08  -0.04   2.97     3.33
1qfbA19 CYS   8 HB3    0.19   0.02   0.04  -0.04   2.97     3.18