=============================================================================
          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    29.782  24.375  19.262  -99.200  -91.000
      TRP6  5     1.020    29.655  24.589  16.936  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfzA3 GLY   1 HA2   -0.16  -0.13   0.04  -0.51   4.01     3.25
1dfzA3 GLY   1 HA3   -0.14  -0.04  -0.00  -0.51   4.01     3.32
1dfzA3 CYS   2 H     -0.20   0.19  -0.55  -0.55   8.50     7.39
1dfzA3 CYS   2 HA    -0.08   0.16   0.66  -0.75   4.58     4.57
1dfzA3 CYS   2 HB2   -0.14   0.05   0.07  -0.04   2.97     2.91
1dfzA3 CYS   2 HB3   -0.12  -0.01   0.18  -0.04   2.97     2.98
1dfzA3 GLN   5 H     -0.16   0.14   0.12  -0.55   8.47     8.03
1dfzA3 GLN   5 HA    -0.44  -0.01   0.13  -0.75   4.36     3.28
1dfzA3 GLN   5 HB2   -1.23  -0.06  -0.08  -0.04   2.15     0.74
1dfzA3 GLN   5 HB3   -0.41  -0.02   0.09  -0.04   2.02     1.64
1dfzA3 GLN   5 HG2   -0.07  -0.01   0.09  -0.04   2.40     2.37
1dfzA3 GLN   5 HG3    0.21   0.00   0.01  -0.04   2.39     2.57
1dfzA3 GLN   5 HE21  -0.07   0.02   0.11  -0.04   6.97     6.99
1dfzA3 GLN   5 HE22   0.03  -0.01   0.04  -0.04   7.69     7.71
1dfzA3 PRO   6 HA    -0.30   0.09   0.41  -0.51   4.44     4.13
1dfzA3 PRO   6 HB2   -0.18   0.05  -0.07  -0.04   2.28     2.04
1dfzA3 PRO   6 HB3   -0.24   0.12   0.04  -0.04   2.02     1.90
1dfzA3 PRO   6 HG2   -0.69   0.03   0.07  -0.04   2.03     1.40
1dfzA3 PRO   6 HG3   -0.42   0.09   0.05  -0.04   2.03     1.71
1dfzA3 PRO   6 HD2   -3.30   0.08   0.14  -0.04   3.68     0.56
1dfzA3 PRO   6 HD3   -0.94   0.16   0.13  -0.04   3.65     2.96
1dfzA3 TRP   7 H     -1.07   0.11  -0.05  -0.55   7.97     6.42
1dfzA3 TRP   7 HA     0.00   0.11   0.17  -0.75   4.62     4.14
1dfzA3 TRP   7 HB2    0.00   0.03   0.04  -0.04   3.23     3.26
1dfzA3 TRP   7 HB3    0.00   0.02   0.04  -0.04   3.23     3.25
1dfzA3 TRP   7 HD1    0.00   0.04  -0.05  -0.04   7.22     7.16
1dfzA3 TRP   7 HE1    0.00   0.02  -0.02  -0.04  10.20    10.17
1dfzA3 TRP   7 HE3    0.00   0.02   0.03  -0.04   7.59     7.59
1dfzA3 TRP   7 HZ2    0.00   0.02   0.03  -0.04   7.44     7.44
1dfzA3 TRP   7 HZ3    0.00   0.02   0.02  -0.04   7.13     7.13
1dfzA3 TRP   7 HH2    0.00   0.02   0.03  -0.04   7.19     7.19