=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 34 rings
        ring        int.           center             anis.    iso.
       HIS  4     0.900    61.032 -27.145 -15.412  -99.200  -91.000
       HIS 16     0.900    65.977  -8.049 -10.991  -99.200  -91.000
       TYR 24     0.840    56.116 -30.434 -12.903  -99.200  -91.000
       HIS 42     0.900    56.550 -30.336  -7.041  -99.200  -91.000
       PHE 54     1.000    70.407 -10.654  -3.637  -99.200  -91.000
       PHE 57     1.000    59.926 -17.368  -1.130  -99.200  -91.000
       HIS 58     0.900    65.178 -24.800   0.711  -99.200  -91.000
       PHE 72     1.000    40.641 -12.751   4.117  -99.200  -91.000
       HIS 85     0.900    70.189 -10.936   1.686  -99.200  -91.000
       PHE 88     1.000    59.847 -17.253   3.564  -99.200  -91.000
       TYR 91     0.840    56.303 -30.370   1.272  -99.200  -91.000
       HIS 95     0.900    47.615 -19.569   6.406  -99.200  -91.000
       TYR 111     0.840    66.934 -21.744   7.907  -99.200  -91.000
       PHE 112     1.000    59.850 -17.398   8.337  -99.200  -91.000
       HIS 117     0.900    50.158 -21.402  10.297  -99.200  -91.000
       HIS 120     0.900    44.437 -14.376  10.912  -99.200  -91.000
       HIS 132     0.900    60.602 -29.970  10.208  -99.200  -91.000
       HIS 139     0.900    45.512 -10.207  14.300  -99.200  -91.000
       PHE 145     1.000    69.902 -10.891  15.571  -99.200  -91.000
       PHE 147     1.000    66.061 -21.826  18.160  -99.200  -91.000
       HIS 155     0.900    45.822 -17.459  22.527  -99.200  -91.000
       PHE 157     1.000    44.705 -10.864  18.944  -99.200  -91.000
       PHE 159     1.000    52.923  -7.499  21.043  -99.200  -91.000
       TYR 163     0.840    69.457 -10.045  20.290  -99.200  -91.000
       TYR 179     0.840    67.170  -8.260  26.061  -99.200  -91.000
       PHE 202     1.000    72.760  -7.749  23.301  -99.200  -91.000
       HIS 212     0.900    69.436  -4.548  39.408  -99.200  -91.000
       TYR 214     0.840    64.090 -10.223  32.129  -99.200  -91.000
       TYR 218     0.840    60.163 -12.788  35.541  -99.200  -91.000
       HIS 219     0.900    64.819 -15.213  39.939  -99.200  -91.000
       TYR 243     0.840    62.741  -4.753  23.839  -99.200  -91.000
       PHE 247     1.000    57.790  -8.218  25.573  -99.200  -91.000
       PHE 248     1.000    58.202  -8.261  32.007  -99.200  -91.000
       HIS 258     0.900    61.400 -16.965  36.465  -99.200  -91.000