=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 38 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900   115.419   2.862 123.418  -99.200  -91.000
       HIS  4     0.900   118.031   8.268 118.754  -99.200  -91.000
       HIS  5     0.900   109.538   8.401 124.083  -99.200  -91.000
       HIS  6     0.900   106.430   8.613 121.040  -99.200  -91.000
       HIS  7     0.900   115.009   7.527 115.262  -99.200  -91.000
       HIS  8     0.900   112.379   7.227 112.167  -99.200  -91.000
       TYR 12     0.840   105.120   9.213 110.469  -99.200  -91.000
       PHE 13     1.000   102.981  19.823 110.008  -99.200  -91.000
       PHE 17     1.000    94.051  21.700  93.891  -99.200  -91.000
       PHE 35     1.000    90.442  -2.817  88.283  -99.200  -91.000
       TRP 43     1.040    86.083 -10.620  88.454  -99.200  -91.000
      TRP6 43     1.020    87.167 -10.983  90.524  -99.200  -91.000
       HIS 44     0.900    81.162  -5.663  85.917  -99.200  -91.000
       TYR 50     0.840    73.984  -7.684 106.488  -99.200  -91.000
       TRP 53     1.040    77.002   1.819  98.975  -99.200  -91.000
      TRP6 53     1.020    77.621   3.996  98.322  -99.200  -91.000
       TYR 56     0.840    75.390  -1.270  88.082  -99.200  -91.000
       HIS 61     0.900    78.851   7.933  95.944  -99.200  -91.000
       TRP 70     1.040    82.662  15.827  93.445  -99.200  -91.000
      TRP6 70     1.020    83.504  15.948  95.663  -99.200  -91.000
       PHE 76     1.000    74.955  27.840  97.536  -99.200  -91.000
       HIS 83     0.900    77.508  37.184 102.354  -99.200  -91.000
       PHE 86     1.000    79.393  24.181 100.112  -99.200  -91.000
       PHE 89     1.000    75.931  16.703  98.545  -99.200  -91.000
       PHE 92     1.000    71.314  11.517  92.565  -99.200  -91.000
       HIS 94     0.900    65.972   3.498  97.006  -99.200  -91.000
       PHE 107     1.000    82.461   0.870  83.323  -99.200  -91.000
       PHE 110     1.000    83.068   8.650  86.654  -99.200  -91.000
       HIS 137     0.900    79.980  20.799 104.672  -99.200  -91.000
       PHE 140     1.000    82.603  19.005 106.680  -99.200  -91.000
       TRP 152     1.040    85.581  15.992  91.544  -99.200  -91.000
      TRP6 152     1.020    85.370  17.755  89.981  -99.200  -91.000
       HIS 155     0.900    83.442  10.924  96.127  -99.200  -91.000
       HIS 159     0.900    83.341   6.270  96.775  -99.200  -91.000
       TYR 170     0.840    89.726 -14.879  93.377  -99.200  -91.000
       TRP 177     1.040   101.189 -16.924  99.477  -99.200  -91.000
      TRP6 177     1.020   100.865 -18.993  98.367  -99.200  -91.000
       TYR 180     0.840   104.456 -11.209 102.819  -99.200  -91.000