=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 31 rings
        ring        int.           center             anis.    iso.
       TYR  5     0.840    72.871 -27.318 -25.201  -99.200  -91.000
       HIS  9     0.900    57.601 -28.974 -15.224  -99.200  -91.000
       TRP 14     1.040    47.354 -29.402 -11.251  -99.200  -91.000
      TRP6 14     1.020    47.470 -31.590 -10.347  -99.200  -91.000
       TRP 23     1.040    56.617 -40.490  -9.864  -99.200  -91.000
      TRP6 23     1.020    56.741 -42.810  -9.401  -99.200  -91.000
       TYR 52     0.840    68.188 -40.048 -24.377  -99.200  -91.000
       TYR 75     0.840    65.794 -42.551 -28.308  -99.200  -91.000
       HIS 84     0.900    55.018 -41.588  -6.334  -99.200  -91.000
       TRP 88     1.040    52.996 -34.060   1.129  -99.200  -91.000
      TRP6 88     1.020    55.160 -33.153   1.459  -99.200  -91.000
       HIS 93     0.900    53.671 -24.675  -2.204  -99.200  -91.000
       PHE 104     1.000    55.007 -27.536   2.259  -99.200  -91.000
       HIS 106     0.900    62.059 -32.002   8.849  -99.200  -91.000
       PHE 107     1.000    59.840 -31.134  -1.343  -99.200  -91.000
       TRP 108     1.040    59.122 -26.404   0.328  -99.200  -91.000
      TRP6 108     1.020    59.627 -26.114  -1.961  -99.200  -91.000
       HIS 112     0.900    69.759 -32.377   6.361  -99.200  -91.000
       TYR 114     0.840    60.241 -35.462   1.771  -99.200  -91.000
       PHE 122     1.000    64.352 -33.612  -1.448  -99.200  -91.000
       HIS 140     0.900    72.840 -40.176 -27.585  -99.200  -91.000
       HIS 150     0.900    59.450 -33.654 -14.480  -99.200  -91.000
       PHE 161     1.000    75.841 -33.493 -13.274  -99.200  -91.000
       HIS 168     0.900    74.650 -27.014   2.556  -99.200  -91.000
       TRP 170     1.040    65.071 -27.491  -1.752  -99.200  -91.000
      TRP6 170     1.020    63.912 -27.768  -3.798  -99.200  -91.000
       TYR 174     0.840    62.676 -21.304  -9.041  -99.200  -91.000
       TYR 176     0.840    63.658 -18.403 -12.595  -99.200  -91.000
       PHE 190     1.000    78.630 -36.664 -15.452  -99.200  -91.000
       HIS 191     0.900    83.465 -27.161 -16.382  -99.200  -91.000
       HIS 200     0.900    65.345 -19.750 -22.871  -99.200  -91.000