=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 45 rings
        ring        int.           center             anis.    iso.
       TYR  4     0.840    72.681  97.902  16.674  -99.200  -91.000
       TYR  7     0.840    81.163  96.791  18.001  -99.200  -91.000
       HIS 18     0.900    66.833  83.834  30.882  -99.200  -91.000
       HIS 24     0.900    53.558  94.686  32.533  -99.200  -91.000
       PHE 29     1.000    63.624  92.477  41.234  -99.200  -91.000
       HIS 33     0.900    68.041  94.183  40.429  -99.200  -91.000
       TRP 39     1.040    74.563 102.920  32.366  -99.200  -91.000
      TRP6 39     1.020    75.862 103.879  30.646  -99.200  -91.000
       HIS 45     0.900    87.383 100.093  29.966  -99.200  -91.000
       PHE 63     1.000    92.305 116.231  37.376  -99.200  -91.000
       TRP 80     1.040    68.448 104.188  42.361  -99.200  -91.000
      TRP6 80     1.020    68.063 101.946  43.048  -99.200  -91.000
       TYR 91     0.840    59.831  93.068  45.540  -99.200  -91.000
       TYR 97     0.840    56.123  82.891  41.210  -99.200  -91.000
       PHE 104     1.000    75.633  91.435  51.863  -99.200  -91.000
       TYR 107     0.840    81.314  89.875  39.151  -99.200  -91.000
       TYR 109     0.840    77.451  98.469  45.589  -99.200  -91.000
       PHE 114     1.000    86.388  94.884  48.395  -99.200  -91.000
       HIS 127     0.900    81.159  88.402  45.605  -99.200  -91.000
       HIS 129     0.900    78.189  81.661  44.346  -99.200  -91.000
       HIS 133     0.900    81.227  85.988  39.522  -99.200  -91.000
       HIS 142     0.900    94.848  90.628  49.533  -99.200  -91.000
       TYR 147     0.840    91.136 109.612  50.097  -99.200  -91.000
       PHE 159     1.000   100.868 118.930  49.838  -99.200  -91.000
       TRP 170     1.040    97.887  98.333  50.014  -99.200  -91.000
      TRP6 170     1.020    97.971 100.644  50.500  -99.200  -91.000
       TYR 176     0.840    91.115 112.614  60.456  -99.200  -91.000
       TRP 184     1.040    93.022 115.322  50.969  -99.200  -91.000
      TRP6 184     1.020    93.173 115.472  48.619  -99.200  -91.000
       TYR 188     0.840    89.871 121.249  48.907  -99.200  -91.000
       HIS 194     0.900    99.929 123.290  46.668  -99.200  -91.000
       TRP 195     1.040    93.057 124.323  38.885  -99.200  -91.000
      TRP6 195     1.020    91.755 126.017  39.912  -99.200  -91.000
       TYR 198     0.840    90.327 124.142  44.338  -99.200  -91.000
       PHE 204     1.000    89.812 110.552  44.888  -99.200  -91.000
       PHE 211     1.000    79.061 104.106  45.930  -99.200  -91.000
       TRP 214     1.040    73.307 103.699  42.839  -99.200  -91.000
      TRP6 214     1.020    73.489 101.769  44.211  -99.200  -91.000
       PHE 216     1.000    68.039 109.688  51.015  -99.200  -91.000
       HIS 218     0.900    69.616  99.629  47.062  -99.200  -91.000
       PHE 228     1.000    63.590 101.258  58.652  -99.200  -91.000
       TYR 235     0.840    73.930  95.660  54.713  -99.200  -91.000
       PHE 245     1.000    86.639 109.054  48.121  -99.200  -91.000
       TRP 249     1.040    83.217 113.944  52.274  -99.200  -91.000
      TRP6 249     1.020    81.236 114.968  51.490  -99.200  -91.000