=============================================================================
          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    30.356  24.598  19.366  -99.200  -91.000
      TRP6  5     1.020    30.088  26.022  21.207  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfzA9 GLY   1 HA2    0.00  -0.06   0.16  -0.51   4.01     3.60
1dfzA9 GLY   1 HA3    0.01  -0.12   0.06  -0.51   4.01     3.45
1dfzA9 CYS   2 H     -0.05   0.24  -0.65  -0.55   8.50     7.49
1dfzA9 CYS   2 HA    -0.04   0.14   0.69  -0.75   4.58     4.62
1dfzA9 CYS   2 HB2   -0.05   0.06  -0.01  -0.04   2.97     2.93
1dfzA9 CYS   2 HB3   -0.11  -0.04   0.13  -0.04   2.97     2.91
1dfzA9 GLN   5 H     -0.20   0.11   0.10  -0.55   8.47     7.94
1dfzA9 GLN   5 HA    -0.08   0.01   0.15  -0.75   4.36     3.69
1dfzA9 GLN   5 HB2   -0.78   0.03  -0.04  -0.04   2.15     1.31
1dfzA9 GLN   5 HB3   -0.18  -0.05   0.09  -0.04   2.02     1.83
1dfzA9 GLN   5 HG2   -0.27   0.00   0.11  -0.04   2.40     2.20
1dfzA9 GLN   5 HG3   -0.44  -0.01   0.04  -0.04   2.39     1.94
1dfzA9 GLN   5 HE21  -0.03  -0.01   0.03  -0.04   6.97     6.91
1dfzA9 GLN   5 HE22   0.02  -0.01   0.03  -0.04   7.69     7.69
1dfzA9 PRO   6 HA     0.02   0.06   0.46  -0.51   4.44     4.47
1dfzA9 PRO   6 HB2    0.20  -0.01  -0.04  -0.04   2.28     2.40
1dfzA9 PRO   6 HB3    0.08   0.05   0.05  -0.04   2.02     2.16
1dfzA9 PRO   6 HG2    0.14   0.02   0.06  -0.04   2.03     2.20
1dfzA9 PRO   6 HG3    0.06   0.11   0.05  -0.04   2.03     2.21
1dfzA9 PRO   6 HD2    0.12   0.07   0.16  -0.04   3.68     3.98
1dfzA9 PRO   6 HD3    0.02   0.20   0.08  -0.04   3.65     3.91
1dfzA9 TRP   7 H      0.11   0.10  -0.25  -0.55   7.97     7.38
1dfzA9 TRP   7 HA     0.00   0.21   0.45  -0.75   4.62     4.52
1dfzA9 TRP   7 HB2    0.00   0.03   0.03  -0.04   3.23     3.25
1dfzA9 TRP   7 HB3    0.00   0.01  -0.03  -0.04   3.23     3.17
1dfzA9 TRP   7 HD1    0.00  -0.02   0.02  -0.04   7.22     7.17
1dfzA9 TRP   7 HE1    0.00   0.01   0.01  -0.04  10.20    10.19
1dfzA9 TRP   7 HE3    0.00   0.01   0.00  -0.04   7.59     7.57
1dfzA9 TRP   7 HZ2    0.00   0.00   0.01  -0.04   7.44     7.41
1dfzA9 TRP   7 HZ3    0.00   0.00   0.00  -0.04   7.13     7.09
1dfzA9 TRP   7 HH2    0.00   0.00   0.00  -0.04   7.19     7.15