=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 40 rings
        ring        int.           center             anis.    iso.
       TYR  9     0.840    55.717  47.038   4.396  -99.200  -91.000
       PHE 13     1.000    49.354  48.474  16.462  -99.200  -91.000
       TYR 27     0.840    51.571  36.857  -1.984  -99.200  -91.000
       HIS 31     0.900    51.826  40.759  16.979  -99.200  -91.000
       TYR 43     0.840    42.054  29.753  40.863  -99.200  -91.000
       TYR 45     0.840    32.650  36.253  38.698  -99.200  -91.000
       TRP 46     1.040    35.558  27.883  37.988  -99.200  -91.000
      TRP6 46     1.020    37.414  26.733  38.826  -99.200  -91.000
       TRP 55     1.040    37.479  29.188  33.726  -99.200  -91.000
      TRP6 55     1.020    39.584  30.110  34.267  -99.200  -91.000
       TYR 117     0.840    40.569  28.638   8.113  -99.200  -91.000
       PHE 162     1.000    36.096  52.880  14.138  -99.200  -91.000
       TYR 165     0.840    31.562  52.628  26.011  -99.200  -91.000
       TYR 170     0.840    31.724  41.990  16.236  -99.200  -91.000
       TYR 174     0.840    28.192  47.055  29.309  -99.200  -91.000
       HIS 187     0.900    46.722  42.303  43.329  -99.200  -91.000
       PHE 190     1.000    37.344  43.057  41.562  -99.200  -91.000
       TYR 198     0.840    39.790  32.313  46.183  -99.200  -91.000
       PHE 202     1.000    48.356  37.487  46.873  -99.200  -91.000
       TYR 212     0.840    43.372  39.993  45.242  -99.200  -91.000
       TYR 221     0.840    30.339  50.903  39.048  -99.200  -91.000
       TYR 239     0.840    37.550  47.738  18.371  -99.200  -91.000
       HIS 247     0.900    35.247  43.308   1.315  -99.200  -91.000
       TYR 249     0.840    35.332  54.343   3.548  -99.200  -91.000
       HIS 258     0.900    44.643  46.059  20.028  -99.200  -91.000
       HIS 269     0.900    55.133  53.491  22.257  -99.200  -91.000
       PHE 270     1.000    52.859  51.879  16.446  -99.200  -91.000
       HIS 276     0.900    49.334  69.164  19.216  -99.200  -91.000
       PHE 283     1.000    33.546  56.515  21.666  -99.200  -91.000
       PHE 289     1.000    38.569  51.639  30.994  -99.200  -91.000
       TRP 300     1.040    40.513  61.826  35.614  -99.200  -91.000
      TRP6 300     1.020    39.187  59.920  35.228  -99.200  -91.000
       TYR 303     0.840    42.965  60.188  29.203  -99.200  -91.000
       PHE 306     1.000    43.639  51.049  33.405  -99.200  -91.000
       HIS 309     0.900    39.491  55.985  21.248  -99.200  -91.000
       TYR 314     0.840    45.693  58.360  14.175  -99.200  -91.000
       HIS 319     0.900    38.356  58.976   2.705  -99.200  -91.000
       PHE 329     1.000    30.366  44.869  11.266  -99.200  -91.000
       TYR 358     0.840    45.081  65.124  32.067  -99.200  -91.000
       TYR 360     0.840    49.943  61.997  27.737  -99.200  -91.000