=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 18 rings
        ring        int.           center             anis.    iso.
       TYR 17     0.840    -7.953   7.837  49.882  -99.200  -91.000
       TRP 18     1.040    -5.980   7.323  54.374  -99.200  -91.000
      TRP6 18     1.020    -5.411   5.270  55.380  -99.200  -91.000
       HIS 20     0.900    -4.568   5.108  46.588  -99.200  -91.000
       PHE 26     1.000    -0.492   3.045  34.248  -99.200  -91.000
       HIS 53     0.900    -0.371   8.702  60.905  -99.200  -91.000
       HIS 56     0.900    -8.031  11.765  56.160  -99.200  -91.000
       TYR 61     0.840    -6.027   2.227  59.902  -99.200  -91.000
       TYR 65     0.840     0.722  -0.520  49.051  -99.200  -91.000
       HIS 66     0.900    -3.815  -8.333  46.837  -99.200  -91.000
       TYR 89     0.840    18.079  -5.211  50.311  -99.200  -91.000
       PHE 91     1.000    10.282 -10.166  45.050  -99.200  -91.000
       PHE 92     1.000     6.616 -11.824  49.288  -99.200  -91.000
       HIS 94     0.900    11.653  -3.845  44.726  -99.200  -91.000
       TRP 99     1.040     4.418  -7.033  44.071  -99.200  -91.000
      TRP6 99     1.020     5.275  -9.077  44.854  -99.200  -91.000
       PHE 108     1.000     0.359  -2.480  36.637  -99.200  -91.000
       HIS 109     0.900    -6.502  -2.650  33.221  -99.200  -91.000