=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 36 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    -5.431  48.742  38.144  -99.200  -91.000
       HIS  2     0.900   -11.801  43.307  38.036  -99.200  -91.000
       HIS  3     0.900    -9.407  46.972  44.199  -99.200  -91.000
       HIS  4     0.900   -13.249  38.655  48.520  -99.200  -91.000
       TYR 16     0.840   -18.014  54.445  51.384  -99.200  -91.000
       PHE 17     1.000   -19.331  47.530  47.151  -99.200  -91.000
       PHE 25     1.000     0.791  51.468  63.048  -99.200  -91.000
       TYR 26     0.840    -0.365  50.999  71.616  -99.200  -91.000
       TYR 28     0.840     6.665  54.589  71.132  -99.200  -91.000
       HIS 29     0.900     4.740  63.246  65.627  -99.200  -91.000
       HIS 36     0.900    -5.387  67.625  73.527  -99.200  -91.000
       PHE 42     1.000    -5.844  59.404  55.342  -99.200  -91.000
       HIS 45     0.900    -1.586  67.810  49.109  -99.200  -91.000
       TYR 49     0.840     1.518  69.599  48.394  -99.200  -91.000
       HIS 50     0.900     2.488  75.833  53.522  -99.200  -91.000
       PHE 51     1.000     6.632  75.087  56.320  -99.200  -91.000
       PHE 52     1.000    10.764  70.114  51.669  -99.200  -91.000
       PHE 53     1.000     5.773  68.968  46.236  -99.200  -91.000
       HIS 72     0.900    20.453  89.438  38.234  -99.200  -91.000
       TYR 73     0.840    24.734  82.494  31.212  -99.200  -91.000
       HIS 79     0.900    30.355  88.508  37.825  -99.200  -91.000
       TYR 91     0.840    13.519  77.957  41.976  -99.200  -91.000
       PHE 110     1.000     7.731  49.999  45.522  -99.200  -91.000
       TYR 113     0.840     5.030  50.031  50.676  -99.200  -91.000
       TYR 121     0.840     7.456  62.087  57.081  -99.200  -91.000
       TYR 126     0.840    10.860  56.729  75.349  -99.200  -91.000
       TRP 132     1.040    14.152  58.947  64.212  -99.200  -91.000
      TRP6 132     1.020    15.309  59.638  62.255  -99.200  -91.000
       PHE 136     1.000    13.927  66.049  64.475  -99.200  -91.000
       TYR 139     0.840    21.937  68.109  61.883  -99.200  -91.000
       PHE 156     1.000     8.458  52.038  53.053  -99.200  -91.000
       PHE 171     1.000    14.648  65.617  38.123  -99.200  -91.000
       TYR 181     0.840    11.892  55.966  51.191  -99.200  -91.000
       TRP 182     1.040     8.700  54.584  47.339  -99.200  -91.000
      TRP6 182     1.020     7.450  55.167  49.288  -99.200  -91.000
       PHE 205     1.000    12.075  65.736  75.794  -99.200  -91.000