=============================================================================
          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.
       HIS  7     0.900    58.862  -6.035  23.873  -99.200  -91.000
       TYR 23     0.840    82.262  13.645  11.720  -99.200  -91.000
       HIS 40     0.900    89.367   0.540  17.714  -99.200  -91.000
       PHE 42     1.000    82.666   8.471  13.130  -99.200  -91.000
       PHE 45     1.000    84.768   2.527   8.998  -99.200  -91.000
       HIS 47     0.900    86.178   6.978   0.878  -99.200  -91.000
       PHE 54     1.000    80.521   2.167  12.411  -99.200  -91.000
       PHE 59     1.000    70.518   9.341  14.564  -99.200  -91.000
       PHE 65     1.000    67.645  -2.162  21.449  -99.200  -91.000
       PHE 73     1.000    69.650   6.877  19.390  -99.200  -91.000
       TYR 79     0.840    78.341  -7.905  19.662  -99.200  -91.000
       TYR 89     0.840    67.658  -4.116  26.629  -99.200  -91.000
       PHE 92     1.000    63.281  -7.874  24.871  -99.200  -91.000
       HIS 95     0.900    66.689 -12.677  15.866  -99.200  -91.000
       HIS 100     0.900    75.281   1.577   5.526  -99.200  -91.000
       HIS 103     0.900    72.366  10.130  -3.106  -99.200  -91.000
       TYR 104     0.840    67.288   8.085   1.021  -99.200  -91.000
       PHE 116     1.000    63.388 -14.156  30.539  -99.200  -91.000