=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 12 rings
        ring        int.           center             anis.    iso.
       TYR 16     0.840     7.372 -11.878   5.383  -99.200  -91.000
       HIS 18     0.900     8.383  -6.533  -4.057  -99.200  -91.000
       PHE 22     1.000    17.784 -15.452   7.969  -99.200  -91.000
       PHE 26     1.000    13.412  -1.745   6.915  -99.200  -91.000
       HIS 27     0.900    12.434  -9.918   6.289  -99.200  -91.000
       HIS 47     0.900    -1.198  -5.206  -3.583  -99.200  -91.000
       PHE 50     1.000     5.472  -3.382  -0.856  -99.200  -91.000
       PHE 74     1.000    -0.249   0.875   9.404  -99.200  -91.000
       HIS 83     0.900     1.867  -9.435  25.947  -99.200  -91.000
       TRP 111     1.040     9.685   4.253  18.792  -99.200  -91.000
      TRP6 111     1.020    11.417   3.197  20.029  -99.200  -91.000
       PHE 115     1.000     9.732  -8.349  19.580  -99.200  -91.000