=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 22 rings
        ring        int.           center             anis.    iso.
       TYR 13     0.840    45.736 -45.331 -12.343  -99.200  -91.000
       TYR 29     0.840    44.328 -37.357  -5.903  -99.200  -91.000
       HIS 31     0.900    43.804 -36.694  -0.551  -99.200  -91.000
       HIS 33     0.900    38.908 -29.448  -2.744  -99.200  -91.000
       PHE 53     1.000    49.098 -46.684  -1.434  -99.200  -91.000
       HIS 56     0.900    39.654 -55.686  -1.407  -99.200  -91.000
       TYR 63     0.840    33.560 -46.154  -9.717  -99.200  -91.000
       HIS 66     0.900    23.190 -54.023 -10.318  -99.200  -91.000
       PHE 79     1.000    17.836 -47.920 -25.864  -99.200  -91.000
       PHE 91     1.000    22.802 -48.655 -26.823  -99.200  -91.000
       TYR 92     0.840    29.846 -47.240 -22.937  -99.200  -91.000
       PHE 117     1.000    18.594 -45.862 -16.841  -99.200  -91.000
       HIS 119     0.900    30.768 -47.011 -12.795  -99.200  -91.000
       PHE 128     1.000    42.292 -48.233  -7.389  -99.200  -91.000
       HIS 145     0.900    39.546 -23.385 -12.497  -99.200  -91.000
       HIS 147     0.900    39.337 -28.416 -12.151  -99.200  -91.000
       HIS 149     0.900    43.738 -25.588 -12.964  -99.200  -91.000
       HIS 153     0.900    45.366 -21.723 -21.715  -99.200  -91.000
       HIS 154     0.900    42.807 -16.666 -15.354  -99.200  -91.000
       HIS 155     0.900    41.730 -23.306 -16.739  -99.200  -91.000
       HIS 156     0.900    37.301 -17.419 -16.402  -99.200  -91.000
       HIS 157     0.900    37.323 -25.597 -15.685  -99.200  -91.000