=============================================================================
          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    27.997  18.748  19.203  -99.200  -91.000
      TRP6  5     1.020    27.771  18.954  21.519  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfyA20 GLY   1 HA2   -0.05  -0.06   0.12  -0.51   4.01     3.51
1dfyA20 GLY   1 HA3   -0.04  -0.02   0.16  -0.51   4.01     3.59
1dfyA20 CYS   2 H     -0.07   0.06  -0.00  -0.55   8.50     7.94
1dfyA20 CYS   2 HA    -0.11   0.25   0.15  -0.75   4.58     4.11
1dfyA20 CYS   2 HB2   -0.10  -0.01   0.08  -0.04   2.97     2.90
1dfyA20 CYS   2 HB3   -0.13   0.02   0.13  -0.04   2.97     2.95
1dfyA20 GLN   5 H     -0.16   0.15   0.12  -0.55   8.47     8.04
1dfyA20 GLN   5 HA    -0.02   0.00   0.22  -0.75   4.36     3.81
1dfyA20 GLN   5 HB2   -0.44   0.04   0.02  -0.04   2.15     1.73
1dfyA20 GLN   5 HB3   -0.93  -0.16  -0.08  -0.04   2.02     0.81
1dfyA20 GLN   5 HG2   -0.27   0.01  -0.00  -0.04   2.40     2.10
1dfyA20 GLN   5 HG3    0.17  -0.02   0.05  -0.04   2.39     2.55
1dfyA20 GLN   5 HE21  -0.14   0.04   0.04  -0.04   6.97     6.87
1dfyA20 GLN   5 HE22  -0.04   0.02   0.06  -0.04   7.69     7.68
1dfyA20 PRO   6 HA     0.09   0.09   0.25  -0.51   4.44     4.36
1dfyA20 PRO   6 HB2    0.22   0.05  -0.04  -0.04   2.28     2.46
1dfyA20 PRO   6 HB3    0.12   0.03   0.10  -0.04   2.02     2.24
1dfyA20 PRO   6 HG2    0.37   0.04   0.04  -0.04   2.03     2.44
1dfyA20 PRO   6 HG3    0.17   0.06   0.07  -0.04   2.03     2.28
1dfyA20 PRO   6 HD2    0.44   0.10   0.14  -0.04   3.68     4.32
1dfyA20 PRO   6 HD3    0.15   0.15   0.17  -0.04   3.65     4.08
1dfyA20 TRP   7 H      0.36   0.04  -0.57  -0.55   7.97     7.26
1dfyA20 TRP   7 HA     0.00   0.22   0.60  -0.75   4.62     4.68
1dfyA20 TRP   7 HB2    0.00   0.03   0.02  -0.04   3.23     3.24
1dfyA20 TRP   7 HB3    0.00  -0.01  -0.15  -0.04   3.23     3.03
1dfyA20 TRP   7 HD1    0.00   0.01  -0.00  -0.04   7.22     7.19
1dfyA20 TRP   7 HE1    0.00   0.00  -0.02  -0.04  10.20    10.14
1dfyA20 TRP   7 HE3    0.00  -0.11  -0.06  -0.04   7.59     7.39
1dfyA20 TRP   7 HZ2    0.00   0.01  -0.02  -0.04   7.44     7.39
1dfyA20 TRP   7 HZ3    0.00   0.00   0.00  -0.04   7.13     7.10
1dfyA20 TRP   7 HH2    0.00   0.02  -0.01  -0.04   7.19     7.15