=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 41 rings
        ring        int.           center             anis.    iso.
       HIS 14     0.900    64.920 -11.734  74.656  -99.200  -91.000
       PHE 18     1.000    79.723 -15.463  64.692  -99.200  -91.000
       TYR 20     0.840    77.992 -11.996  67.838  -99.200  -91.000
       TYR 21     0.840    78.027 -14.555  75.752  -99.200  -91.000
       PHE 29     1.000    71.510 -18.097  68.361  -99.200  -91.000
       TYR 65     0.840    78.514  -2.321  69.162  -99.200  -91.000
       HIS 76     0.900    69.607  -1.616  68.591  -99.200  -91.000
       TYR 79     0.840    64.007  -1.257  65.789  -99.200  -91.000
       TYR 86     0.840    59.296  -7.360  61.289  -99.200  -91.000
       HIS 94     0.900    63.943  -8.904  79.355  -99.200  -91.000
       PHE 96     1.000    58.784  -0.579  78.288  -99.200  -91.000
       TYR 98     0.840    69.739  -2.232  77.718  -99.200  -91.000
       PHE 102     1.000    69.408   2.022  74.183  -99.200  -91.000
       HIS 104     0.900    59.875   7.230  74.288  -99.200  -91.000
       PHE 112     1.000    59.321  -2.210  62.249  -99.200  -91.000
       TYR 114     0.840    58.157  -0.972  67.676  -99.200  -91.000
       PHE 128     1.000    55.542   3.515  74.298  -99.200  -91.000
       TYR 131     0.840    42.963   1.935  68.006  -99.200  -91.000
       HIS 146     0.900    37.455  -7.617  47.765  -99.200  -91.000
       TYR 152     0.840    48.480  -5.206  61.979  -99.200  -91.000
       PHE 155     1.000    46.400  -5.895  74.435  -99.200  -91.000
       TRP 162     1.040    60.023  -8.694  85.439  -99.200  -91.000
      TRP6 162     1.020    58.327  -9.097  83.835  -99.200  -91.000
       TYR 183     0.840    42.444   1.573  73.741  -99.200  -91.000
       HIS 199     0.900    57.165  -9.916  75.191  -99.200  -91.000
       TYR 207     0.840    40.836 -11.258  84.435  -99.200  -91.000
       TYR 215     0.840    41.597 -20.231  78.441  -99.200  -91.000
       TYR 216     0.840    43.309 -15.113  81.761  -99.200  -91.000
       PHE 227     1.000    50.617 -17.389  72.696  -99.200  -91.000
       HIS 229     0.900    56.791 -12.426  79.341  -99.200  -91.000
       HIS 231     0.900    62.220 -16.368  76.013  -99.200  -91.000
       PHE 234     1.000    48.504 -22.629  71.188  -99.200  -91.000
       PHE 239     1.000    51.623 -23.839  75.718  -99.200  -91.000
       TRP 261     1.040    67.179 -16.203  72.347  -99.200  -91.000
      TRP6 261     1.020    69.098 -17.307  73.194  -99.200  -91.000
       HIS 264     0.900    60.045 -22.837  66.747  -99.200  -91.000
       TRP 279     1.040    36.195  -7.735  54.337  -99.200  -91.000
      TRP6 279     1.020    36.379  -9.246  52.523  -99.200  -91.000
       TYR 292     0.840    69.138 -27.945  63.574  -99.200  -91.000
       HIS 315     0.900    79.289 -11.143  62.722  -99.200  -91.000
       PHE 321     1.000    80.244  -4.984  74.444  -99.200  -91.000