=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 35 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900     4.434 -11.108  20.688  -99.200  -91.000
       TYR 10     0.840   -16.692 -12.379  20.027  -99.200  -91.000
       TYR 12     0.840   -14.141 -19.730  16.432  -99.200  -91.000
       HIS 21     0.900   -20.971 -21.061  10.919  -99.200  -91.000
       HIS 27     0.900   -10.969 -11.552  10.413  -99.200  -91.000
       HIS 28     0.900    -9.402 -17.045  17.180  -99.200  -91.000
       HIS 31     0.900    -7.489 -14.785   6.588  -99.200  -91.000
       HIS 32     0.900    -5.049 -12.575  16.030  -99.200  -91.000
       TYR 35     0.840    -2.056 -11.220   9.507  -99.200  -91.000
       HIS 47     0.900    16.767 -10.411  21.469  -99.200  -91.000
       PHE 67     1.000     1.025  -8.699   5.839  -99.200  -91.000
       HIS 72     0.900    -0.781 -10.843  18.458  -99.200  -91.000
       HIS 75     0.900    -6.498  -9.488  12.018  -99.200  -91.000
       PHE 78     1.000   -12.764  -6.504  13.522  -99.200  -91.000
       TRP 79     1.040    -9.768 -11.480  17.387  -99.200  -91.000
      TRP6 79     1.020   -10.767 -11.684  15.257  -99.200  -91.000
       PHE 101     1.000   -15.451  12.196  15.150  -99.200  -91.000
       TRP 123     1.040    -7.042  -3.467   9.893  -99.200  -91.000
      TRP6 123     1.020    -8.294  -4.576  11.555  -99.200  -91.000
       TRP 125     1.040    -7.525   1.319  13.148  -99.200  -91.000
      TRP6 125     1.020    -8.000  -0.246  14.847  -99.200  -91.000
       TYR 128     0.840    -7.446  11.006  23.688  -99.200  -91.000
       PHE 156     1.000   -16.047  -0.069  16.244  -99.200  -91.000
       TRP 161     1.040    -6.564  -6.670   5.501  -99.200  -91.000
      TRP6 161     1.020    -4.854  -8.041   4.590  -99.200  -91.000
       HIS 163     0.900    -8.643 -11.190   6.135  -99.200  -91.000
       TYR 165     0.840   -15.633  -6.906   2.630  -99.200  -91.000
       TYR 166     0.840   -15.753 -11.263  -2.231  -99.200  -91.000
       TYR 169     0.840   -22.062  -8.324   5.263  -99.200  -91.000
       TYR 176     0.840   -17.361  -5.911   7.515  -99.200  -91.000
       TRP 181     1.040   -20.984   1.770  12.480  -99.200  -91.000
      TRP6 181     1.020   -19.498   2.712  14.062  -99.200  -91.000
       TRP 186     1.040   -21.083   1.725  20.938  -99.200  -91.000
      TRP6 186     1.020   -19.614   3.328  20.010  -99.200  -91.000
       PHE 193     1.000   -12.344   9.218  25.612  -99.200  -91.000