=============================================================================
          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    28.408  19.258  19.186  -99.200  -91.000
      TRP6  5     1.020    27.678  19.273  21.396  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfyA14 GLY   1 HA2   -0.04  -0.05   0.14  -0.51   4.01     3.55
1dfyA14 GLY   1 HA3   -0.03  -0.03   0.19  -0.51   4.01     3.63
1dfyA14 CYS   2 H     -0.06   0.15   0.05  -0.55   8.50     8.10
1dfyA14 CYS   2 HA    -0.07   0.26   1.69  -0.75   4.58     5.70
1dfyA14 CYS   2 HB2   -0.12  -0.03  -0.12  -0.04   2.97     2.67
1dfyA14 CYS   2 HB3   -0.12   0.01  -0.24  -0.04   2.97     2.57
1dfyA14 GLN   5 H     -0.12   0.14   0.10  -0.55   8.47     8.04
1dfyA14 GLN   5 HA     0.07   0.01   0.25  -0.75   4.36     3.94
1dfyA14 GLN   5 HB2   -0.42   0.01   0.07  -0.04   2.15     1.77
1dfyA14 GLN   5 HB3   -1.08  -0.12  -0.05  -0.04   2.02     0.73
1dfyA14 GLN   5 HG2   -0.12   0.00   0.01  -0.04   2.40     2.25
1dfyA14 GLN   5 HG3    0.24  -0.01   0.05  -0.04   2.39     2.62
1dfyA14 GLN   5 HE21  -0.14  -0.07   0.12  -0.04   6.97     6.84
1dfyA14 GLN   5 HE22  -0.04   0.14   0.15  -0.04   7.69     7.90
1dfyA14 PRO   6 HA     0.10   0.08   0.14  -0.51   4.44     4.25
1dfyA14 PRO   6 HB2    0.19   0.04   0.01  -0.04   2.28     2.48
1dfyA14 PRO   6 HB3    0.12   0.03   0.12  -0.04   2.02     2.24
1dfyA14 PRO   6 HG2    0.26   0.04   0.03  -0.04   2.03     2.31
1dfyA14 PRO   6 HG3    0.15   0.05   0.07  -0.04   2.03     2.25
1dfyA14 PRO   6 HD2    0.57   0.10   0.12  -0.04   3.68     4.43
1dfyA14 PRO   6 HD3    0.18   0.15   0.17  -0.04   3.65     4.12
1dfyA14 TRP   7 H      0.33   0.05  -0.78  -0.55   7.97     7.02
1dfyA14 TRP   7 HA     0.00   0.20   0.61  -0.75   4.62     4.67
1dfyA14 TRP   7 HB2    0.00   0.02   0.02  -0.04   3.23     3.23
1dfyA14 TRP   7 HB3    0.00  -0.01  -0.22  -0.04   3.23     2.96
1dfyA14 TRP   7 HD1    0.00   0.01  -0.00  -0.04   7.22     7.18
1dfyA14 TRP   7 HE1    0.00   0.00  -0.02  -0.04  10.20    10.14
1dfyA14 TRP   7 HE3    0.00  -0.12  -0.17  -0.04   7.59     7.26
1dfyA14 TRP   7 HZ2    0.00   0.01  -0.02  -0.04   7.44     7.38
1dfyA14 TRP   7 HZ3    0.00  -0.00  -0.02  -0.04   7.13     7.07
1dfyA14 TRP   7 HH2    0.00   0.02  -0.01  -0.04   7.19     7.15