=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 48 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    57.091  96.255 105.700  -99.200  -91.000
       TYR 13     0.840    76.252  80.730  88.746  -99.200  -91.000
       HIS 17     0.900    73.090  85.292  88.576  -99.200  -91.000
       PHE 18     1.000    67.511  85.413  97.717  -99.200  -91.000
       HIS 28     0.900    61.160  90.729 101.422  -99.200  -91.000
       HIS 40     0.900    88.757  82.900  92.259  -99.200  -91.000
       HIS 45     0.900    81.131  89.379  93.148  -99.200  -91.000
       TRP 66     1.040    66.774  98.159  89.138  -99.200  -91.000
      TRP6 66     1.020    65.216  97.397  87.521  -99.200  -91.000
       TYR 70     0.840    72.305 100.608 100.147  -99.200  -91.000
       PHE 83     1.000    81.462  87.806 110.110  -99.200  -91.000
       PHE 88     1.000    71.826  86.099 113.034  -99.200  -91.000
       HIS 91     0.900    74.218  94.585 109.243  -99.200  -91.000
       HIS 99     0.900    73.692  77.966 105.651  -99.200  -91.000
       PHE 103     1.000    84.776  75.041 101.495  -99.200  -91.000
       TYR 116     0.840    83.241  69.468  99.563  -99.200  -91.000
       TYR 117     0.840    80.809  64.311 106.052  -99.200  -91.000
       HIS 134     0.900    71.863  87.375 117.760  -99.200  -91.000
       PHE 141     1.000    70.787  73.896 103.677  -99.200  -91.000
       PHE 148     1.000    65.805  63.837  95.643  -99.200  -91.000
       TYR 168     0.840    77.126  69.443  97.190  -99.200  -91.000
       TYR 186     0.840    65.508  74.188 119.122  -99.200  -91.000
       TYR 195     0.840    69.449  76.288  95.262  -99.200  -91.000
       PHE 196     1.000    66.730  68.210  90.730  -99.200  -91.000
       HIS 202     0.900    69.992  89.967  85.619  -99.200  -91.000
       HIS 210     0.900    86.507  83.874  84.353  -99.200  -91.000
       TYR 211     0.840    88.004  80.472  81.281  -99.200  -91.000
       HIS 216     0.900    79.652  74.093  89.320  -99.200  -91.000
       PHE 237     1.000    85.517  64.933  84.386  -99.200  -91.000
       TYR 241     0.840    78.325  58.029  84.885  -99.200  -91.000
       TYR 252     0.840    73.010  71.024  82.685  -99.200  -91.000
       HIS 254     0.900    68.946  82.163  83.716  -99.200  -91.000
       HIS 262     0.900    66.575  80.912  96.442  -99.200  -91.000
       TYR 268     0.840    54.502  77.878 102.101  -99.200  -91.000
       TYR 280     0.840    55.481  76.493 112.400  -99.200  -91.000
       PHE 281     1.000    62.220  70.318 106.623  -99.200  -91.000
       PHE 284     1.000    58.119  73.929  98.301  -99.200  -91.000
       TYR 292     0.840    68.638  70.036  77.587  -99.200  -91.000
       HIS 307     0.900    86.116  76.306  69.856  -99.200  -91.000
       TYR 323     0.840    66.876  60.920  84.866  -99.200  -91.000
       TRP 337     1.040    60.190  78.559  90.446  -99.200  -91.000
      TRP6 337     1.020    61.300  76.637  89.586  -99.200  -91.000
       TYR 341     0.840    66.033  82.185  81.142  -99.200  -91.000
       TRP 352     1.040    79.143  82.616  73.637  -99.200  -91.000
      TRP6 352     1.020    81.385  82.187  74.250  -99.200  -91.000
       PHE 354     1.000    79.769  86.192  83.585  -99.200  -91.000
       HIS 358     0.900    81.947  89.882  82.337  -99.200  -91.000
       TYR 362     0.840    82.699  88.956  88.727  -99.200  -91.000