=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 15 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900     6.253 -38.963  -9.129  -99.200  -91.000
       TYR 22     0.840    13.379 -32.760  -9.341  -99.200  -91.000
       PHE 29     1.000    11.908 -27.603  -7.341  -99.200  -91.000
       PHE 39     1.000    13.134  -9.606   4.297  -99.200  -91.000
       TYR 43     0.840     1.597 -10.173   9.194  -99.200  -91.000
       PHE 50     1.000     5.344 -21.578   8.674  -99.200  -91.000
       PHE 65     1.000     8.284 -31.024 -10.538  -99.200  -91.000
       TYR 74     0.840     9.502 -14.387 -14.480  -99.200  -91.000
       TYR 80     0.840     0.677 -29.004  -4.927  -99.200  -91.000
       TYR 82     0.840     4.055 -32.745   0.292  -99.200  -91.000
       TYR 102     0.840    -5.634 -14.605  -9.088  -99.200  -91.000
       TYR 104     0.840     1.703 -20.749 -14.511  -99.200  -91.000
       HIS 110     0.900    -1.977 -31.385  -2.983  -99.200  -91.000
       TRP 129     1.040    -5.911 -14.561   6.275  -99.200  -91.000
      TRP6 129     1.020    -6.981 -13.662   4.357  -99.200  -91.000