=============================================================================
          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    30.045  24.278  18.372  -99.200  -91.000
      TRP6  5     1.020    28.619  25.652  19.616  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfzA16 GLY   1 HA2   -0.06  -0.11   0.11  -0.51   4.01     3.44
1dfzA16 GLY   1 HA3   -0.07  -0.05   0.04  -0.51   4.01     3.42
1dfzA16 CYS   2 H     -0.16   0.25  -0.54  -0.55   8.50     7.50
1dfzA16 CYS   2 HA    -0.07   0.18   0.71  -0.75   4.58     4.64
1dfzA16 CYS   2 HB2   -0.15   0.21   0.13  -0.04   2.97     3.12
1dfzA16 CYS   2 HB3   -0.12  -0.10   0.15  -0.04   2.97     2.85
1dfzA16 GLN   5 H     -0.32   0.18   0.12  -0.55   8.47     7.91
1dfzA16 GLN   5 HA    -0.37  -0.03   0.13  -0.75   4.36     3.33
1dfzA16 GLN   5 HB2   -2.22  -0.04  -0.16  -0.04   2.15    -0.31
1dfzA16 GLN   5 HB3   -1.15  -0.04   0.08  -0.04   2.02     0.86
1dfzA16 GLN   5 HG2   -0.56   0.01   0.12  -0.04   2.40     1.93
1dfzA16 GLN   5 HG3   -1.55   0.00   0.02  -0.04   2.39     0.82
1dfzA16 GLN   5 HE21  -0.11  -0.00   0.02  -0.04   6.97     6.84
1dfzA16 GLN   5 HE22   0.00  -0.02   0.02  -0.04   7.69     7.66
1dfzA16 PRO   6 HA    -0.15   0.03   0.48  -0.51   4.44     4.29
1dfzA16 PRO   6 HB2    0.07   0.04  -0.02  -0.04   2.28     2.32
1dfzA16 PRO   6 HB3   -0.02   0.11   0.07  -0.04   2.02     2.14
1dfzA16 PRO   6 HG2    0.20   0.03   0.08  -0.04   2.03     2.30
1dfzA16 PRO   6 HG3    0.01   0.09   0.06  -0.04   2.03     2.15
1dfzA16 PRO   6 HD2   -0.69   0.09   0.14  -0.04   3.68     3.18
1dfzA16 PRO   6 HD3   -0.21   0.16   0.11  -0.04   3.65     3.67
1dfzA16 TRP   7 H     -0.46   0.10  -0.09  -0.55   7.97     6.97
1dfzA16 TRP   7 HA     0.00   0.10   0.13  -0.75   4.62     4.09
1dfzA16 TRP   7 HB2    0.00   0.03   0.02  -0.04   3.23     3.24
1dfzA16 TRP   7 HB3    0.00   0.02   0.03  -0.04   3.23     3.24
1dfzA16 TRP   7 HD1    0.00   0.01   0.04  -0.04   7.22     7.23
1dfzA16 TRP   7 HE1    0.00   0.02   0.03  -0.04  10.20    10.21
1dfzA16 TRP   7 HE3    0.00   0.02  -0.03  -0.04   7.59     7.54
1dfzA16 TRP   7 HZ2    0.00   0.01   0.02  -0.04   7.44     7.43
1dfzA16 TRP   7 HZ3    0.00   0.01  -0.01  -0.04   7.13     7.09
1dfzA16 TRP   7 HH2    0.00   0.01   0.01  -0.04   7.19     7.16