=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 30 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900    57.821 -15.606  18.956  -99.200  -91.000
       PHE  8     1.000    62.523 -23.799   5.591  -99.200  -91.000
       HIS 19     0.900    62.558 -30.203   1.587  -99.200  -91.000
       TYR 27     0.840    62.529 -30.578  13.464  -99.200  -91.000
       HIS 40     0.900    60.509 -25.603   1.805  -99.200  -91.000
       PHE 45     1.000    67.106 -18.522 -10.067  -99.200  -91.000
       PHE 53     1.000    53.316 -19.028  -3.937  -99.200  -91.000
       HIS 59     0.900    43.476 -13.448   9.232  -99.200  -91.000
       PHE 61     1.000    51.029 -20.692   9.518  -99.200  -91.000
       HIS 64     0.900    52.115 -20.319  19.034  -99.200  -91.000
       TYR 70     0.840    66.211 -20.665   2.064  -99.200  -91.000
       TYR 72     0.840    69.839 -14.102   1.078  -99.200  -91.000
       HIS 80     0.900    74.277  -6.953   5.224  -99.200  -91.000
       PHE 102     1.000    53.625  -7.996  -2.235  -99.200  -91.000
       HIS 113     0.900    67.435  -5.368  16.211  -99.200  -91.000
       TRP 129     1.040    71.255 -23.376   1.457  -99.200  -91.000
      TRP6 129     1.020    71.291 -25.714   1.729  -99.200  -91.000
       TYR 130     0.840    74.965 -15.129   3.184  -99.200  -91.000
       HIS 141     0.900    70.731 -19.780  17.127  -99.200  -91.000
       TYR 165     0.840    50.565  -2.716  -2.577  -99.200  -91.000
       PHE 186     1.000    41.731 -26.101  -6.711  -99.200  -91.000
       TRP 190     1.040    43.254 -15.977  -6.587  -99.200  -91.000
      TRP6 190     1.020    44.255 -16.282  -4.465  -99.200  -91.000
       HIS 196     0.900    37.367  -0.522  -1.675  -99.200  -91.000
       PHE 219     1.000    30.178 -10.708  -7.041  -99.200  -91.000
       PHE 223     1.000    35.302 -21.800  -6.931  -99.200  -91.000
       TYR 234     0.840    36.075 -17.009  -7.214  -99.200  -91.000
       PHE 250     1.000    38.888 -17.286 -16.687  -99.200  -91.000
       TRP 254     1.040    39.001 -16.871 -22.104  -99.200  -91.000
      TRP6 254     1.020    37.180 -18.068 -21.180  -99.200  -91.000