=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 36 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900   -37.333  30.517   4.336  -99.200  -91.000
       TRP  5     1.040   -36.251  25.116   6.841  -99.200  -91.000
      TRP6  5     1.020   -34.172  26.211   6.601  -99.200  -91.000
       HIS  7     0.900   -35.943  19.322   7.855  -99.200  -91.000
       TYR 17     0.840   -30.238  23.506  -1.082  -99.200  -91.000
       PHE 21     1.000   -31.226  36.292  -0.755  -99.200  -91.000
       PHE 30     1.000   -21.179  36.440  -9.218  -99.200  -91.000
       TYR 39     0.840   -12.464  37.259  -2.369  -99.200  -91.000
       PHE 40     1.000    -7.257  37.780   5.064  -99.200  -91.000
       PHE 50     1.000    -0.799  13.936   5.814  -99.200  -91.000
       TRP 53     1.040     5.089  25.840   5.240  -99.200  -91.000
      TRP6 53     1.020     3.610  27.159   6.554  -99.200  -91.000
       HIS 54     0.900     0.875  22.038  -0.823  -99.200  -91.000
       TYR 63     0.840   -15.046  41.543   5.036  -99.200  -91.000
       TYR 70     0.840   -11.752  30.431  10.905  -99.200  -91.000
       PHE 72     1.000    -7.809  27.690   7.619  -99.200  -91.000
       TRP 82     1.040   -19.733  42.544  11.304  -99.200  -91.000
      TRP6 82     1.020   -20.461  40.569  10.227  -99.200  -91.000
       HIS 92     0.900   -33.657  37.155   4.156  -99.200  -91.000
       PHE 101     1.000   -25.503  32.605  12.373  -99.200  -91.000
       PHE 103     1.000   -14.678  34.703  11.697  -99.200  -91.000
       TYR 109     0.840   -14.625  27.306  -3.653  -99.200  -91.000
       HIS 115     0.900    -8.817  21.876  -5.798  -99.200  -91.000
       HIS 119     0.900   -12.760  21.850   5.872  -99.200  -91.000
       PHE 137     1.000   -25.556  35.200  -2.821  -99.200  -91.000
       PHE 143     1.000   -20.929  20.940   1.595  -99.200  -91.000
       PHE 145     1.000   -22.659  17.489   4.945  -99.200  -91.000
       HIS 147     0.900   -19.563   8.331  10.614  -99.200  -91.000
       HIS 168     0.900   -27.163  33.156  -8.739  -99.200  -91.000
       HIS 176     0.900   -23.518  19.419  19.210  -99.200  -91.000
       HIS 181     0.900   -20.671  12.269  15.999  -99.200  -91.000
       TRP 182     1.040   -21.805  12.740   9.429  -99.200  -91.000
      TRP6 182     1.020   -22.204  11.404   7.507  -99.200  -91.000
       TYR 183     0.840   -12.881  14.269   8.776  -99.200  -91.000
       HIS 184     0.900   -17.457  20.929   5.697  -99.200  -91.000
       PHE 201     1.000   -23.184  35.183   7.159  -99.200  -91.000