=============================================================================
          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    30.100  24.437  18.741  -99.200  -91.000
      TRP6  5     1.020    30.804  24.815  16.526  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfzA12 GLY   1 HA2   -0.12  -0.10   0.10  -0.51   4.01     3.37
1dfzA12 GLY   1 HA3   -0.10  -0.05   0.07  -0.51   4.01     3.43
1dfzA12 CYS   2 H     -0.13   0.16  -0.48  -0.55   8.50     7.50
1dfzA12 CYS   2 HA    -0.04   0.19   0.71  -0.75   4.58     4.68
1dfzA12 CYS   2 HB2   -0.07   0.11   0.08  -0.04   2.97     3.04
1dfzA12 CYS   2 HB3   -0.04  -0.07   0.15  -0.04   2.97     2.98
1dfzA12 GLN   5 H     -0.06   0.17   0.11  -0.55   8.47     8.16
1dfzA12 GLN   5 HA    -0.24  -0.03   0.10  -0.75   4.36     3.43
1dfzA12 GLN   5 HB2   -0.68  -0.10  -0.07  -0.04   2.15     1.26
1dfzA12 GLN   5 HB3   -0.15  -0.03   0.09  -0.04   2.02     1.89
1dfzA12 GLN   5 HG2    0.25  -0.03   0.04  -0.04   2.40     2.62
1dfzA12 GLN   5 HG3    0.05  -0.00   0.12  -0.04   2.39     2.51
1dfzA12 GLN   5 HE21  -0.05  -0.04  -0.07  -0.04   6.97     6.76
1dfzA12 GLN   5 HE22   0.13   0.15  -0.13  -0.04   7.69     7.80
1dfzA12 PRO   6 HA    -0.25   0.05   0.41  -0.51   4.44     4.15
1dfzA12 PRO   6 HB2   -0.37   0.04  -0.07  -0.04   2.28     1.84
1dfzA12 PRO   6 HB3   -0.31   0.08   0.07  -0.04   2.02     1.82
1dfzA12 PRO   6 HG2   -1.82   0.01   0.07  -0.04   2.03     0.25
1dfzA12 PRO   6 HG3   -0.62   0.08   0.06  -0.04   2.03     1.50
1dfzA12 PRO   6 HD2   -1.37   0.11   0.13  -0.04   3.68     2.51
1dfzA12 PRO   6 HD3   -0.52   0.16   0.10  -0.04   3.65     3.34
1dfzA12 TRP   7 H     -1.25   0.09  -0.14  -0.55   7.97     6.12
1dfzA12 TRP   7 HA     0.00   0.14   0.23  -0.75   4.62     4.24
1dfzA12 TRP   7 HB2    0.00   0.03   0.03  -0.04   3.23     3.24
1dfzA12 TRP   7 HB3    0.00   0.02   0.01  -0.04   3.23     3.22
1dfzA12 TRP   7 HD1    0.00   0.04  -0.05  -0.04   7.22     7.17
1dfzA12 TRP   7 HE1    0.00   0.02   0.00  -0.04  10.20    10.18
1dfzA12 TRP   7 HE3    0.00   0.02  -0.01  -0.04   7.59     7.55
1dfzA12 TRP   7 HZ2    0.00   0.01   0.02  -0.04   7.44     7.43
1dfzA12 TRP   7 HZ3    0.00   0.01   0.00  -0.04   7.13     7.10
1dfzA12 TRP   7 HH2    0.00   0.01   0.01  -0.04   7.19     7.17