=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 20 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    21.971  24.665  41.761  -99.200  -91.000
       PHE  8     1.000    28.730  28.336  26.783  -99.200  -91.000
       PHE 17     1.000    18.214  -0.081  29.394  -99.200  -91.000
       TYR 22     0.840    15.018  13.122  33.182  -99.200  -91.000
       TRP 27     1.040     6.417   8.446  25.389  -99.200  -91.000
      TRP6 27     1.020     7.788  10.377  25.396  -99.200  -91.000
       PHE 44     1.000    25.176  17.619  32.882  -99.200  -91.000
       PHE 51     1.000    16.756   8.202  26.612  -99.200  -91.000
       TRP 52     1.040    24.109   5.133  23.908  -99.200  -91.000
      TRP6 52     1.020    25.801   6.369  22.919  -99.200  -91.000
       TYR 54     0.840    20.359   1.942  13.062  -99.200  -91.000
       HIS 65     0.900    18.014  22.143  37.994  -99.200  -91.000
       TRP 77     1.040    26.674  25.370  22.965  -99.200  -91.000
      TRP6 77     1.020    25.942  23.443  24.112  -99.200  -91.000
       TRP 93     1.040     9.340  25.566  30.734  -99.200  -91.000
      TRP6 93     1.020    11.446  24.886  31.526  -99.200  -91.000
       HIS 100     0.900    21.080  20.041  11.653  -99.200  -91.000
       TYR 106     0.840    11.055  22.322  22.250  -99.200  -91.000
       TRP 118     1.040    21.568  18.650  20.988  -99.200  -91.000
      TRP6 118     1.020    22.271  18.973  23.212  -99.200  -91.000