=============================================================================
          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    27.926  18.585  19.122  -99.200  -91.000
      TRP6  5     1.020    26.931  18.517  21.234  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1dfyA16 GLY   1 HA2   -0.02  -0.05   0.16  -0.51   4.01     3.58
1dfyA16 GLY   1 HA3   -0.02  -0.02   0.16  -0.51   4.01     3.62
1dfyA16 CYS   2 H     -0.05   0.16   0.07  -0.55   8.50     8.13
1dfyA16 CYS   2 HA    -0.08   0.26   1.32  -0.75   4.58     5.33
1dfyA16 CYS   2 HB2   -0.12  -0.02   0.03  -0.04   2.97     2.82
1dfyA16 CYS   2 HB3   -0.14   0.01  -0.44  -0.04   2.97     2.36
1dfyA16 GLN   5 H     -0.13   0.11   0.10  -0.55   8.47     8.01
1dfyA16 GLN   5 HA     0.05   0.01   0.25  -0.75   4.36     3.92
1dfyA16 GLN   5 HB2   -0.42  -0.01   0.10  -0.04   2.15     1.78
1dfyA16 GLN   5 HB3   -0.99  -0.14  -0.08  -0.04   2.02     0.77
1dfyA16 GLN   5 HG2   -0.09  -0.01   0.01  -0.04   2.40     2.27
1dfyA16 GLN   5 HG3    0.26  -0.02   0.05  -0.04   2.39     2.65
1dfyA16 GLN   5 HE21  -0.15  -0.18   0.25  -0.04   6.97     6.84
1dfyA16 GLN   5 HE22  -0.04   0.38   0.16  -0.04   7.69     8.14
1dfyA16 PRO   6 HA     0.10   0.08   0.20  -0.51   4.44     4.30
1dfyA16 PRO   6 HB2    0.21   0.04  -0.05  -0.04   2.28     2.44
1dfyA16 PRO   6 HB3    0.12   0.03   0.10  -0.04   2.02     2.24
1dfyA16 PRO   6 HG2    0.31   0.04   0.04  -0.04   2.03     2.37
1dfyA16 PRO   6 HG3    0.15   0.05   0.07  -0.04   2.03     2.27
1dfyA16 PRO   6 HD2    0.54   0.10   0.13  -0.04   3.68     4.41
1dfyA16 PRO   6 HD3    0.17   0.16   0.17  -0.04   3.65     4.11
1dfyA16 TRP   7 H      0.47   0.05  -0.56  -0.55   7.97     7.38
1dfyA16 TRP   7 HA     0.00   0.21   0.62  -0.75   4.62     4.70
1dfyA16 TRP   7 HB2    0.00   0.03   0.02  -0.04   3.23     3.24
1dfyA16 TRP   7 HB3    0.00  -0.02  -0.14  -0.04   3.23     3.03
1dfyA16 TRP   7 HD1    0.00   0.01  -0.00  -0.04   7.22     7.18
1dfyA16 TRP   7 HE1    0.00   0.00  -0.02  -0.04  10.20    10.14
1dfyA16 TRP   7 HE3    0.00  -0.11  -0.09  -0.04   7.59     7.35
1dfyA16 TRP   7 HZ2    0.00   0.01  -0.02  -0.04   7.44     7.39
1dfyA16 TRP   7 HZ3    0.00   0.00  -0.01  -0.04   7.13     7.09
1dfyA16 TRP   7 HH2    0.00   0.03  -0.01  -0.04   7.19     7.17