=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 39 rings
        ring        int.           center             anis.    iso.
       TYR  9     0.840   -14.195 -50.722  -6.441  -99.200  -91.000
       HIS 17     0.900    -5.209 -39.467 -31.132  -99.200  -91.000
       TYR 19     0.840     1.010 -35.930 -23.098  -99.200  -91.000
       TRP 20     1.040     7.618 -39.681 -26.486  -99.200  -91.000
      TRP6 20     1.020     7.176 -40.249 -28.756  -99.200  -91.000
       PHE 22     1.000     0.521 -38.094 -18.375  -99.200  -91.000
       TRP 41     1.040   -20.321 -45.763  -7.559  -99.200  -91.000
      TRP6 41     1.020   -18.429 -47.152  -7.522  -99.200  -91.000
       TRP 47     1.040    -3.165 -34.825 -18.180  -99.200  -91.000
      TRP6 47     1.020    -4.846 -35.873 -19.483  -99.200  -91.000
       HIS 49     0.900     3.968 -39.359 -11.601  -99.200  -91.000
       TYR 51     0.840     0.296 -31.751 -17.004  -99.200  -91.000
       HIS 55     0.900     1.437 -39.480  -5.025  -99.200  -91.000
       PHE 69     1.000    -9.764 -40.254  12.202  -99.200  -91.000
       HIS 92     0.900    -2.106 -34.466   2.665  -99.200  -91.000
       TYR 94     0.840    -3.494 -35.185  -3.433  -99.200  -91.000
       TRP 104     1.040   -21.784 -32.201  -2.230  -99.200  -91.000
      TRP6 104     1.020   -23.724 -30.837  -2.038  -99.200  -91.000
       TYR 148     0.840   -10.156 -31.946 -30.671  -99.200  -91.000
       TYR 153     0.840   -14.567 -31.608 -29.138  -99.200  -91.000
       HIS 156     0.900   -11.251 -25.213 -31.048  -99.200  -91.000
       TYR 186     0.840    -4.281 -18.465 -27.602  -99.200  -91.000
       TRP 192     1.040     5.196 -18.317 -21.338  -99.200  -91.000
      TRP6 192     1.020     3.177 -17.152 -21.697  -99.200  -91.000
       HIS 208     0.900    -8.819  -7.285 -29.199  -99.200  -91.000
       PHE 211     1.000    -1.812 -14.935 -23.088  -99.200  -91.000
       HIS 228     0.900    -0.323  -9.082 -18.080  -99.200  -91.000
       PHE 256     1.000   -11.576 -17.231  -8.855  -99.200  -91.000
       HIS 279     0.900   -15.393 -10.335  -4.469  -99.200  -91.000
       PHE 284     1.000   -12.090 -20.987 -19.698  -99.200  -91.000
       HIS 300     0.900   -24.652 -33.072 -11.312  -99.200  -91.000
       HIS 308     0.900   -23.212 -13.826 -16.822  -99.200  -91.000
       HIS 311     0.900   -15.581 -17.181 -20.806  -99.200  -91.000
       TRP 314     1.040   -11.092 -31.911 -20.975  -99.200  -91.000
      TRP6 314     1.020    -9.691 -32.917 -19.357  -99.200  -91.000
       HIS 336     0.900   -22.280 -27.138 -27.281  -99.200  -91.000
       HIS 338     0.900   -26.735 -31.841 -24.490  -99.200  -91.000
       HIS 348     0.900   -24.313 -44.367  -8.761  -99.200  -91.000
       TYR 361     0.840    -9.893 -47.942   3.957  -99.200  -91.000