=============================================================================
          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    30.605  24.347  18.293  -99.200  -91.000
      TRP6  5     1.020    28.845  25.715  19.013  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfzA13 GLY   1 HA2   -0.09  -0.11   0.02  -0.51   4.01     3.32
1dfzA13 GLY   1 HA3   -0.08  -0.04   0.03  -0.51   4.01     3.41
1dfzA13 CYS   2 H     -0.14   0.20  -0.56  -0.55   8.50     7.45
1dfzA13 CYS   2 HA    -0.05   0.18   0.67  -0.75   4.58     4.62
1dfzA13 CYS   2 HB2   -0.08   0.05  -0.02  -0.04   2.97     2.88
1dfzA13 CYS   2 HB3   -0.08  -0.06   0.12  -0.04   2.97     2.91
1dfzA13 GLN   5 H     -0.25   0.17   0.11  -0.55   8.47     7.96
1dfzA13 GLN   5 HA    -0.46  -0.01   0.13  -0.75   4.36     3.27
1dfzA13 GLN   5 HB2   -1.07   0.10   0.06  -0.04   2.15     1.20
1dfzA13 GLN   5 HB3   -2.20  -0.14   0.07  -0.04   2.02    -0.29
1dfzA13 GLN   5 HG2   -1.54  -0.03   0.06  -0.04   2.40     0.85
1dfzA13 GLN   5 HG3   -0.55   0.01   0.11  -0.04   2.39     1.92
1dfzA13 GLN   5 HE21   0.01  -0.02   0.02  -0.04   6.97     6.95
1dfzA13 GLN   5 HE22  -0.28   0.03   0.03  -0.04   7.69     7.43
1dfzA13 PRO   6 HA    -0.14   0.12   0.50  -0.51   4.44     4.41
1dfzA13 PRO   6 HB2   -0.10  -0.01  -0.02  -0.04   2.28     2.11
1dfzA13 PRO   6 HB3   -0.04   0.07   0.05  -0.04   2.02     2.05
1dfzA13 PRO   6 HG2   -0.12   0.03   0.06  -0.04   2.03     1.97
1dfzA13 PRO   6 HG3   -0.12   0.09   0.05  -0.04   2.03     2.01
1dfzA13 PRO   6 HD2   -0.70   0.09   0.17  -0.04   3.68     3.20
1dfzA13 PRO   6 HD3   -0.30   0.16   0.03  -0.04   3.65     3.51
1dfzA13 TRP   7 H     -1.09   0.09  -0.27  -0.55   7.97     6.15
1dfzA13 TRP   7 HA     0.00   0.22   0.44  -0.75   4.62     4.52
1dfzA13 TRP   7 HB2    0.00   0.02   0.03  -0.04   3.23     3.24
1dfzA13 TRP   7 HB3    0.00   0.04  -0.01  -0.04   3.23     3.22
1dfzA13 TRP   7 HD1    0.00   0.03  -0.06  -0.04   7.22     7.15
1dfzA13 TRP   7 HE1    0.00   0.02   0.01  -0.04  10.20    10.19
1dfzA13 TRP   7 HE3    0.00   0.02   0.01  -0.04   7.59     7.58
1dfzA13 TRP   7 HZ2    0.00   0.01   0.02  -0.04   7.44     7.43
1dfzA13 TRP   7 HZ3    0.00   0.01   0.02  -0.04   7.13     7.12
1dfzA13 TRP   7 HH2    0.00   0.01   0.02  -0.04   7.19     7.18