=============================================================================
          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    26.266  24.307  18.406  -99.200  -91.000
      TRP6  5     1.020    23.972  24.265  18.788  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1qfbA15 GLY   1 HA2    0.07  -0.04   0.17  -0.51   4.01     3.70
1qfbA15 GLY   1 HA3    0.11  -0.04   0.17  -0.51   4.01     3.74
1qfbA15 CYS   2 H      0.07   0.25   0.01  -0.55   8.50     8.29
1qfbA15 CYS   2 HA     0.24   0.18  -0.09  -0.75   4.58     4.16
1qfbA15 CYS   2 HB2    0.06  -0.01   0.05  -0.04   2.97     3.03
1qfbA15 CYS   2 HB3    0.12   0.01   0.12  -0.04   2.97     3.18
1qfbA15 GLU   5 H     -0.19   0.26   0.18  -0.55   8.60     8.31
1qfbA15 GLU   5 HA    -0.54  -0.02   0.22  -0.75   4.29     3.20
1qfbA15 GLU   5 HB2   -3.19   0.07   0.04  -0.04   2.09    -1.03
1qfbA15 GLU   5 HB3   -3.42  -0.13  -0.02  -0.04   1.99    -1.62
1qfbA15 GLU   5 HG2   -0.62  -0.01   0.07  -0.04   2.34     1.74
1qfbA15 GLU   5 HG3   -0.62   0.03   0.05  -0.04   2.34     1.76
1qfbA15 PRO   6 HA     0.02   0.14   0.29  -0.51   4.44     4.38
1qfbA15 PRO   6 HB2    0.00   0.05   0.07  -0.04   2.28     2.37
1qfbA15 PRO   6 HB3   -0.07   0.03   0.09  -0.04   2.02     2.02
1qfbA15 PRO   6 HG2   -0.06   0.07  -0.05  -0.04   2.03     1.95
1qfbA15 PRO   6 HG3   -0.14   0.06   0.05  -0.04   2.03     1.95
1qfbA15 PRO   6 HD2   -0.94   0.12   0.14  -0.04   3.68     2.96
1qfbA15 PRO   6 HD3   -0.43   0.16   0.21  -0.04   3.65     3.55
1qfbA15 TRP   7 H      0.18   0.09  -0.34  -0.55   7.97     7.35
1qfbA15 TRP   7 HA     0.00   0.17   0.56  -0.75   4.62     4.59
1qfbA15 TRP   7 HB2    0.00   0.03   0.13  -0.04   3.23     3.34
1qfbA15 TRP   7 HB3    0.00  -0.01   0.01  -0.04   3.23     3.19
1qfbA15 TRP   7 HD1    0.00  -0.00  -0.01  -0.04   7.22     7.17
1qfbA15 TRP   7 HE1    0.00   0.01  -0.03  -0.04  10.20    10.14
1qfbA15 TRP   7 HE3    0.00  -0.16  -0.38  -0.04   7.59     7.02
1qfbA15 TRP   7 HZ2    0.00   0.00  -0.03  -0.04   7.44     7.37
1qfbA15 TRP   7 HZ3    0.00   0.02  -0.07  -0.04   7.13     7.04
1qfbA15 TRP   7 HH2    0.00   0.36  -0.03  -0.04   7.19     7.48
1qfbA15 CYS   8 H      0.61   0.20  -0.47  -0.55   8.50     8.30
1qfbA15 CYS   8 HA    -0.16   0.18   0.40  -0.75   4.58     4.24
1qfbA15 CYS   8 HB2    0.41   0.04   0.01  -0.04   2.97     3.40
1qfbA15 CYS   8 HB3    0.16   0.00   0.06  -0.04   2.97     3.16