=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 19 rings
        ring        int.           center             anis.    iso.
       HIS  4     0.900     9.416  -5.810  69.220  -99.200  -91.000
       PHE  8     1.000    18.184   0.322  58.516  -99.200  -91.000
       PHE 20     1.000     4.990   0.666  47.648  -99.200  -91.000
       PHE 45     1.000     2.698   6.269  38.324  -99.200  -91.000
       TRP 46     1.040     4.018  12.864  35.771  -99.200  -91.000
      TRP6 46     1.020     5.680  14.180  36.801  -99.200  -91.000
       TYR 47     0.840     3.767   7.123  42.906  -99.200  -91.000
       TRP 54     1.040     7.498  14.084  56.506  -99.200  -91.000
      TRP6 54     1.020     8.892  12.356  57.320  -99.200  -91.000
       TRP 78     1.040    12.309  15.927  56.599  -99.200  -91.000
      TRP6 78     1.020    10.802  17.721  56.239  -99.200  -91.000
       HIS 80     0.900     3.462  18.208  53.320  -99.200  -91.000
       HIS 84     0.900    -6.000  15.812  44.600  -99.200  -91.000
       HIS 87     0.900     4.476  12.223  44.446  -99.200  -91.000
       TRP 91     1.040    17.900   9.408  40.443  -99.200  -91.000
      TRP6 91     1.020    19.271   8.998  42.290  -99.200  -91.000
       TRP 100     1.040    11.953   4.644  49.234  -99.200  -91.000
      TRP6 100     1.020    12.136   6.792  48.280  -99.200  -91.000
       HIS 104     0.900     0.993   7.230  51.620  -99.200  -91.000