=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 35 rings
        ring        int.           center             anis.    iso.
       TRP  3     1.040   117.544 -18.776-197.584  -99.200  -91.000
      TRP6  3     1.020   117.417 -16.415-197.486  -99.200  -91.000
       HIS  5     0.900   112.347 -21.166-198.774  -99.200  -91.000
       TYR 15     0.840   113.167 -14.326-190.003  -99.200  -91.000
       PHE 19     1.000   124.648  -9.009-190.534  -99.200  -91.000
       PHE 28     1.000   119.786  -0.349-182.416  -99.200  -91.000
       TYR 37     0.840   116.232   7.497-189.011  -99.200  -91.000
       PHE 38     1.000   114.175  12.173-196.138  -99.200  -91.000
       PHE 48     1.000    90.612   6.033-196.859  -99.200  -91.000
       TRP 51     1.040    97.914  16.973-196.419  -99.200  -91.000
      TRP6 51     1.020    99.791  16.392-197.731  -99.200  -91.000
       HIS 52     0.900    96.690  11.453-190.508  -99.200  -91.000
       TYR 61     0.840   121.153   7.423-195.926  -99.200  -91.000
       TYR 68     0.840   110.153   4.736-201.546  -99.200  -91.000
       PHE 70     1.000   105.872   6.843-198.350  -99.200  -91.000
       TRP 80     1.040   124.333   3.780-202.090  -99.200  -91.000
      TRP6 80     1.020   122.938   2.215-200.983  -99.200  -91.000
       HIS 90     0.900   126.476 -10.708-194.978  -99.200  -91.000
       PHE 99     1.000   118.766  -5.974-202.849  -99.200  -91.000
       PHE 101     1.000   115.065   4.241-202.308  -99.200  -91.000
       TYR 107     0.840   108.771   0.842-187.742  -99.200  -91.000
       HIS 113     0.900   101.264   3.212-185.708  -99.200  -91.000
       HIS 117     0.900   103.182  -0.303-196.808  -99.200  -91.000
       PHE 135     1.000   120.928  -4.756-188.485  -99.200  -91.000
       PHE 141     1.000   106.466  -7.467-192.768  -99.200  -91.000
       PHE 143     1.000   104.230 -10.813-195.853  -99.200  -91.000
       HIS 145     0.900    94.888 -12.888-201.194  -99.200  -91.000
       HIS 166     0.900   120.035  -6.908-182.889  -99.200  -91.000
       HIS 174     0.900   105.997 -10.688-209.625  -99.200  -91.000
       HIS 179     0.900    98.559 -11.963-206.286  -99.200  -91.000
       TRP 180     1.040    99.700 -12.462-199.911  -99.200  -91.000
      TRP6 180     1.020    98.764 -13.473-197.985  -99.200  -91.000
       TYR 181     0.840    96.498  -4.003-199.439  -99.200  -91.000
       HIS 182     0.900   104.652  -4.712-196.716  -99.200  -91.000
       PHE 199     1.000   119.786  -2.692-197.879  -99.200  -91.000