=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 14 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900     5.378  -5.666 -15.776  -99.200  -91.000
       HIS  3     0.900     7.324 -11.372 -12.698  -99.200  -91.000
       HIS  4     0.900     5.878  -3.749  -8.832  -99.200  -91.000
       HIS  5     0.900    10.309  -9.367  -6.019  -99.200  -91.000
       HIS  6     0.900     3.607  -5.509  -5.123  -99.200  -91.000
       HIS  7     0.900    11.580  -3.510  -1.986  -99.200  -91.000
       TYR 12     0.840    15.569  -2.140   9.318  -99.200  -91.000
       PHE 15     1.000    13.222   4.061  20.610  -99.200  -91.000
       PHE 39     1.000    14.910   5.380  10.501  -99.200  -91.000
       TYR 42     0.840    12.388  11.904   9.734  -99.200  -91.000
       TRP 52     1.040    24.644   7.203  12.983  -99.200  -91.000
      TRP6 52     1.020    24.671   4.989  12.147  -99.200  -91.000
       TYR 54     0.840    20.915  -1.490  12.987  -99.200  -91.000
       PHE 61     1.000    19.416   2.462  11.750  -99.200  -91.000