=============================================================================
          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    30.087  24.492  19.377  -99.200  -91.000
      TRP6  5     1.020    31.061  26.473  18.604  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfzA18 GLY   1 HA2    0.00  -0.06   0.15  -0.51   4.01     3.60
1dfzA18 GLY   1 HA3   -0.00  -0.17   0.07  -0.51   4.01     3.40
1dfzA18 CYS   2 H      0.04   0.17  -0.64  -0.55   8.50     7.52
1dfzA18 CYS   2 HA     0.03   0.16   0.75  -0.75   4.58     4.77
1dfzA18 CYS   2 HB2    0.08   0.13   0.17  -0.04   2.97     3.31
1dfzA18 CYS   2 HB3    0.08  -0.03   0.18  -0.04   2.97     3.17
1dfzA18 GLN   5 H      0.10   0.17   0.12  -0.55   8.47     8.31
1dfzA18 GLN   5 HA     0.02  -0.01   0.06  -0.75   4.36     3.69
1dfzA18 GLN   5 HB2    0.28  -0.09  -0.09  -0.04   2.15     2.21
1dfzA18 GLN   5 HB3    0.05  -0.03   0.08  -0.04   2.02     2.08
1dfzA18 GLN   5 HG2    0.46  -0.02   0.02  -0.04   2.40     2.82
1dfzA18 GLN   5 HG3    0.17   0.00   0.10  -0.04   2.39     2.62
1dfzA18 GLN   5 HE21   0.08  -0.00  -0.01  -0.04   6.97     7.00
1dfzA18 GLN   5 HE22   0.15  -0.02   0.00  -0.04   7.69     7.78
1dfzA18 PRO   6 HA     0.04   0.00   0.45  -0.51   4.44     4.43
1dfzA18 PRO   6 HB2   -0.04   0.04  -0.04  -0.04   2.28     2.19
1dfzA18 PRO   6 HB3   -0.04   0.09   0.07  -0.04   2.02     2.10
1dfzA18 PRO   6 HG2   -0.33   0.01   0.08  -0.04   2.03     1.75
1dfzA18 PRO   6 HG3   -0.15   0.10   0.06  -0.04   2.03     2.00
1dfzA18 PRO   6 HD2   -0.35   0.09   0.13  -0.04   3.68     3.51
1dfzA18 PRO   6 HD3   -0.11   0.19   0.10  -0.04   3.65     3.79
1dfzA18 TRP   7 H     -0.00   0.11  -0.08  -0.55   7.97     7.45
1dfzA18 TRP   7 HA     0.00   0.12   0.19  -0.75   4.62     4.17
1dfzA18 TRP   7 HB2    0.00   0.03   0.04  -0.04   3.23     3.26
1dfzA18 TRP   7 HB3    0.00   0.01   0.04  -0.04   3.23     3.23
1dfzA18 TRP   7 HD1    0.00  -0.00  -0.25  -0.04   7.22     6.93
1dfzA18 TRP   7 HE1    0.00   0.02  -0.02  -0.04  10.20    10.16
1dfzA18 TRP   7 HE3    0.00   0.00   0.01  -0.04   7.59     7.56
1dfzA18 TRP   7 HZ2    0.00   0.01   0.00  -0.04   7.44     7.41
1dfzA18 TRP   7 HZ3    0.00   0.00   0.00  -0.04   7.13     7.09
1dfzA18 TRP   7 HH2    0.00   0.00   0.00  -0.04   7.19     7.15