=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 25 rings
        ring        int.           center             anis.    iso.
       TYR 34     0.840    76.909  30.813  61.048  -99.200  -91.000
       TYR 47     0.840    79.687  35.528  83.873  -99.200  -91.000
       HIS 54     0.900    71.170  28.836  77.051  -99.200  -91.000
       PHE 57     1.000    71.346  33.228  61.085  -99.200  -91.000
       HIS 64     0.900    64.124  36.527  67.407  -99.200  -91.000
       TRP 74     1.040    68.451  42.988  67.795  -99.200  -91.000
      TRP6 74     1.020    68.277  43.417  65.472  -99.200  -91.000
       PHE 76     1.000    75.048  48.748  70.383  -99.200  -91.000
       HIS 77     0.900    76.671  43.327  69.086  -99.200  -91.000
       TYR 81     0.840    79.199  41.802  62.783  -99.200  -91.000
       HIS 92     0.900    77.807  47.602  74.229  -99.200  -91.000
       HIS 94     0.900    76.570  48.656  79.157  -99.200  -91.000
       HIS 97     0.900    89.057  52.318  84.808  -99.200  -91.000
       HIS 112     0.900   100.831  53.328  75.422  -99.200  -91.000
       TYR 113     0.840   103.702  52.035  71.689  -99.200  -91.000
       TYR 128     0.840    71.475  58.425  75.723  -99.200  -91.000
       PHE 131     1.000    68.012  50.001  76.433  -99.200  -91.000
       HIS 139     0.900    73.869  59.579  67.008  -99.200  -91.000
       HIS 154     0.900    75.557  60.868  79.831  -99.200  -91.000
       HIS 155     0.900    75.099  51.870  75.732  -99.200  -91.000
       TRP 169     1.040    95.349  43.271  72.764  -99.200  -91.000
      TRP6 169     1.020    95.847  45.081  71.336  -99.200  -91.000
       HIS 172     0.900    92.711  44.271  78.967  -99.200  -91.000
       TYR 181     0.840    91.528  61.536  78.154  -99.200  -91.000
       PHE 206     1.000   101.077  49.622  66.396  -99.200  -91.000