=============================================================================
          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    29.803  24.389  19.206  -99.200  -91.000
      TRP6  5     1.020    28.756  25.438  21.064  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfzA11 GLY   1 HA2   -0.03  -0.07   0.18  -0.51   4.01     3.58
1dfzA11 GLY   1 HA3   -0.04  -0.13   0.08  -0.51   4.01     3.41
1dfzA11 CYS   2 H     -0.14   0.37  -0.42  -0.55   8.50     7.76
1dfzA11 CYS   2 HA    -0.07   0.13   0.70  -0.75   4.58     4.59
1dfzA11 CYS   2 HB2   -0.14   0.07   0.00  -0.04   2.97     2.86
1dfzA11 CYS   2 HB3   -0.18  -0.05   0.12  -0.04   2.97     2.82
1dfzA11 GLN   5 H     -0.34   0.14   0.11  -0.55   8.47     7.82
1dfzA11 GLN   5 HA    -0.21   0.01   0.11  -0.75   4.36     3.52
1dfzA11 GLN   5 HB2   -1.67  -0.04  -0.04  -0.04   2.15     0.36
1dfzA11 GLN   5 HB3   -0.25  -0.04   0.11  -0.04   2.02     1.80
1dfzA11 GLN   5 HG2   -0.23  -0.04   0.04  -0.04   2.40     2.14
1dfzA11 GLN   5 HG3   -0.23  -0.00   0.10  -0.04   2.39     2.22
1dfzA11 GLN   5 HE21  -0.20  -0.02   0.02  -0.04   6.97     6.73
1dfzA11 GLN   5 HE22  -0.32  -0.02   0.01  -0.04   7.69     7.33
1dfzA11 PRO   6 HA    -0.09   0.07   0.41  -0.51   4.44     4.32
1dfzA11 PRO   6 HB2    0.08   0.02  -0.09  -0.04   2.28     2.25
1dfzA11 PRO   6 HB3    0.01   0.08   0.06  -0.04   2.02     2.14
1dfzA11 PRO   6 HG2    0.23   0.01   0.06  -0.04   2.03     2.29
1dfzA11 PRO   6 HG3    0.06   0.08   0.05  -0.04   2.03     2.18
1dfzA11 PRO   6 HD2   -0.11   0.07   0.15  -0.04   3.68     3.75
1dfzA11 PRO   6 HD3   -0.06   0.17   0.13  -0.04   3.65     3.86
1dfzA11 TRP   7 H     -0.23   0.11  -0.14  -0.55   7.97     7.15
1dfzA11 TRP   7 HA     0.00   0.16   0.30  -0.75   4.62     4.33
1dfzA11 TRP   7 HB2    0.00   0.03   0.03  -0.04   3.23     3.25
1dfzA11 TRP   7 HB3    0.00   0.02   0.02  -0.04   3.23     3.22
1dfzA11 TRP   7 HD1    0.00   0.00   0.03  -0.04   7.22     7.22
1dfzA11 TRP   7 HE1    0.00   0.02   0.02  -0.04  10.20    10.20
1dfzA11 TRP   7 HE3    0.00   0.02  -0.01  -0.04   7.59     7.55
1dfzA11 TRP   7 HZ2    0.00   0.01   0.01  -0.04   7.44     7.42
1dfzA11 TRP   7 HZ3    0.00   0.00  -0.01  -0.04   7.13     7.09
1dfzA11 TRP   7 HH2    0.00   0.00   0.00  -0.04   7.19     7.15