=============================================================================
          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  4     0.840    21.869  -7.477 -25.596  -99.200  -91.000
       HIS 16     0.900    12.151  -6.986 -24.260  -99.200  -91.000
       HIS 37     0.900    21.475 -24.156 -54.110  -99.200  -91.000
       HIS 39     0.900    23.233 -17.346 -47.460  -99.200  -91.000
       HIS 43     0.900    10.031 -12.509 -43.434  -99.200  -91.000
       PHE 44     1.000    13.332 -10.449 -35.854  -99.200  -91.000
       PHE 50     1.000     9.374   2.592 -22.180  -99.200  -91.000
       HIS 63     0.900    23.124  -8.401 -42.710  -99.200  -91.000
       HIS 69     0.900    21.730  -4.042 -21.812  -99.200  -91.000
       TYR 75     0.840    13.969   2.825  -8.340  -99.200  -91.000
       PHE 85     1.000     9.668  16.789 -11.773  -99.200  -91.000
       PHE 115     1.000     4.488  11.099   0.433  -99.200  -91.000