=============================================================================
          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    26.710  22.811  17.707  -99.200  -91.000
      TRP6  5     1.020    24.404  23.132  17.795  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA13 GLY   1 HA2   -0.02  -0.06   0.13  -0.51   4.01     3.55
1qfbA13 GLY   1 HA3    0.03  -0.01   0.13  -0.51   4.01     3.64
1qfbA13 CYS   2 H      0.04   0.11   0.00  -0.55   8.50     8.11
1qfbA13 CYS   2 HA     0.22   0.24   0.23  -0.75   4.58     4.52
1qfbA13 CYS   2 HB2    0.06  -0.02   0.05  -0.04   2.97     3.03
1qfbA13 CYS   2 HB3    0.12   0.02   0.16  -0.04   2.97     3.23
1qfbA13 GLU   5 H     -0.13   0.24   0.18  -0.55   8.60     8.34
1qfbA13 GLU   5 HA    -0.51  -0.01   0.21  -0.75   4.29     3.22
1qfbA13 GLU   5 HB2   -3.24   0.05   0.02  -0.04   2.09    -1.11
1qfbA13 GLU   5 HB3   -3.36  -0.14  -0.03  -0.04   1.99    -1.58
1qfbA13 GLU   5 HG2   -0.61  -0.00   0.07  -0.04   2.34     1.76
1qfbA13 GLU   5 HG3   -0.69   0.03   0.04  -0.04   2.34     1.68
1qfbA13 PRO   6 HA     0.00   0.13   0.33  -0.51   4.44     4.40
1qfbA13 PRO   6 HB2   -0.00   0.06   0.06  -0.04   2.28     2.35
1qfbA13 PRO   6 HB3   -0.08   0.03   0.08  -0.04   2.02     2.02
1qfbA13 PRO   6 HG2   -0.09   0.07  -0.04  -0.04   2.03     1.93
1qfbA13 PRO   6 HG3   -0.16   0.06   0.05  -0.04   2.03     1.94
1qfbA13 PRO   6 HD2   -0.93   0.11   0.14  -0.04   3.68     2.97
1qfbA13 PRO   6 HD3   -0.43   0.16   0.20  -0.04   3.65     3.54
1qfbA13 TRP   7 H      0.12   0.08  -0.35  -0.55   7.97     7.27
1qfbA13 TRP   7 HA     0.00   0.18   0.56  -0.75   4.62     4.61
1qfbA13 TRP   7 HB2    0.00   0.03   0.12  -0.04   3.23     3.34
1qfbA13 TRP   7 HB3    0.00  -0.01   0.01  -0.04   3.23     3.19
1qfbA13 TRP   7 HD1    0.00   0.00  -0.01  -0.04   7.22     7.17
1qfbA13 TRP   7 HE1    0.00   0.01  -0.03  -0.04  10.20    10.14
1qfbA13 TRP   7 HE3    0.00  -0.07  -0.47  -0.04   7.59     7.01
1qfbA13 TRP   7 HZ2    0.00   0.02  -0.04  -0.04   7.44     7.38
1qfbA13 TRP   7 HZ3    0.00  -0.00  -0.20  -0.04   7.13     6.88
1qfbA13 TRP   7 HH2    0.00   0.20  -0.10  -0.04   7.19     7.25
1qfbA13 CYS   8 H      0.55   0.16  -0.56  -0.55   8.50     8.10
1qfbA13 CYS   8 HA    -0.02   0.08   0.06  -0.75   4.58     3.94
1qfbA13 CYS   8 HB2    0.15   0.03   0.01  -0.04   2.97     3.13
1qfbA13 CYS   8 HB3    0.09  -0.00   0.03  -0.04   2.97     3.04