=============================================================================
          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    27.103  22.268  16.890  -99.200  -91.000
      TRP6  5     1.020    24.834  22.767  16.910  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA9 GLY   1 HA2    0.03  -0.03   0.15  -0.51   4.01     3.65
1qfbA9 GLY   1 HA3    0.04  -0.05   0.19  -0.51   4.01     3.67
1qfbA9 CYS   2 H      0.05   0.15   0.01  -0.55   8.50     8.16
1qfbA9 CYS   2 HA     0.18   0.22   0.44  -0.75   4.58     4.66
1qfbA9 CYS   2 HB2    0.08   0.02   0.03  -0.04   2.97     3.05
1qfbA9 CYS   2 HB3    0.12  -0.02   0.14  -0.04   2.97     3.17
1qfbA9 GLU   5 H     -0.13   0.24   0.17  -0.55   8.60     8.34
1qfbA9 GLU   5 HA    -0.53  -0.01   0.23  -0.75   4.29     3.22
1qfbA9 GLU   5 HB2   -3.14   0.06   0.04  -0.04   2.09    -1.00
1qfbA9 GLU   5 HB3   -3.51  -0.13  -0.04  -0.04   1.99    -1.73
1qfbA9 GLU   5 HG2   -0.62  -0.00   0.07  -0.04   2.34     1.75
1qfbA9 GLU   5 HG3   -0.65   0.02   0.05  -0.04   2.34     1.72
1qfbA9 PRO   6 HA    -0.01   0.12   0.23  -0.51   4.44     4.27
1qfbA9 PRO   6 HB2   -0.01   0.05   0.06  -0.04   2.28     2.34
1qfbA9 PRO   6 HB3   -0.08   0.03   0.09  -0.04   2.02     2.02
1qfbA9 PRO   6 HG2   -0.12   0.07  -0.04  -0.04   2.03     1.90
1qfbA9 PRO   6 HG3   -0.17   0.07   0.05  -0.04   2.03     1.93
1qfbA9 PRO   6 HD2   -0.96   0.12   0.13  -0.04   3.68     2.93
1qfbA9 PRO   6 HD3   -0.43   0.16   0.21  -0.04   3.65     3.55
1qfbA9 TRP   7 H      0.09   0.09  -0.44  -0.55   7.97     7.17
1qfbA9 TRP   7 HA     0.00   0.17   0.56  -0.75   4.62     4.59
1qfbA9 TRP   7 HB2    0.00   0.04   0.11  -0.04   3.23     3.34
1qfbA9 TRP   7 HB3    0.00  -0.01   0.01  -0.04   3.23     3.18
1qfbA9 TRP   7 HD1    0.00  -0.00  -0.01  -0.04   7.22     7.16
1qfbA9 TRP   7 HE1    0.00   0.00  -0.03  -0.04  10.20    10.14
1qfbA9 TRP   7 HE3    0.00  -0.08  -0.42  -0.04   7.59     7.05
1qfbA9 TRP   7 HZ2    0.00  -0.00  -0.03  -0.04   7.44     7.37
1qfbA9 TRP   7 HZ3    0.00   0.02  -0.16  -0.04   7.13     6.95
1qfbA9 TRP   7 HH2    0.00   0.13  -0.03  -0.04   7.19     7.25
1qfbA9 CYS   8 H      0.57   0.18  -0.54  -0.55   8.50     8.17
1qfbA9 CYS   8 HA     0.05   0.08   0.04  -0.75   4.58     4.00
1qfbA9 CYS   8 HB2    0.15   0.02  -0.00  -0.04   2.97     3.10
1qfbA9 CYS   8 HB3    0.10  -0.00   0.02  -0.04   2.97     3.05