=============================================================================
          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  2     0.900    22.784  44.712  37.424  -99.200  -91.000
       HIS  4     0.900    15.727  44.046  36.813  -99.200  -91.000
       HIS 20     0.900     6.387  27.593  56.256  -99.200  -91.000
       PHE 57     1.000   -22.027   8.382  46.561  -99.200  -91.000
       TYR 58     0.840   -13.301   7.272  44.905  -99.200  -91.000
       PHE 79     1.000    -9.481  16.479  35.393  -99.200  -91.000
       HIS 80     0.900   -11.403  22.969  34.828  -99.200  -91.000
       TYR 84     0.840   -14.273  25.391  38.327  -99.200  -91.000
       PHE 93     1.000   -17.270  17.503  45.610  -99.200  -91.000
       TYR 137     0.840    -7.612  26.000  37.476  -99.200  -91.000
       PHE 144     1.000    -2.232  22.138  47.219  -99.200  -91.000
       TRP 147     1.040     4.384  20.495  35.169  -99.200  -91.000
      TRP6 147     1.020     3.497  21.965  33.544  -99.200  -91.000
       HIS 156     0.900    21.791   3.498  26.041  -99.200  -91.000
       TYR 173     0.840     3.934  23.754  38.320  -99.200  -91.000
       HIS 196     0.900    15.973   1.176  38.984  -99.200  -91.000
       TYR 203     0.840    25.209   8.789  39.707  -99.200  -91.000
       TYR 213     0.840    15.244  21.882  44.778  -99.200  -91.000
       HIS 219     0.900    13.196  29.139  34.391  -99.200  -91.000
       HIS 220     0.900    15.627  35.249  38.258  -99.200  -91.000
       TYR 222     0.840     9.458  33.087  49.013  -99.200  -91.000
       HIS 237     0.900     7.709  -1.253  41.440  -99.200  -91.000
       TYR 243     0.840    18.583  -2.628  48.317  -99.200  -91.000
       HIS 245     0.900     9.845  -1.486  55.381  -99.200  -91.000
       PHE 269     1.000     9.636  11.531  50.731  -99.200  -91.000
       TRP 295     1.040    14.531  20.058  53.282  -99.200  -91.000
      TRP6 295     1.020    15.490  17.914  53.568  -99.200  -91.000
       PHE 299     1.000    -0.207  11.992  54.286  -99.200  -91.000
       TYR 301     0.840     1.761   8.321  50.694  -99.200  -91.000
       TRP 313     1.040   -18.666   3.731  46.347  -99.200  -91.000
      TRP6 313     1.020   -17.897   4.607  44.289  -99.200  -91.000
       TYR 327     0.840    -9.564   9.831  53.115  -99.200  -91.000
       TYR 342     0.840     1.551   3.096  60.639  -99.200  -91.000
       HIS 347     0.900    30.598   8.092  57.082  -99.200  -91.000
       TYR 349     0.840    22.652   4.165  52.921  -99.200  -91.000