=============================================================================
          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.
       HIS  1     0.900    20.485  12.545 -19.986  -99.200  -91.000
       HIS  2     0.900    13.309  12.453 -20.421  -99.200  -91.000
       HIS  3     0.900    21.686   9.447 -20.907  -99.200  -91.000
       TRP 11     1.040    32.796  17.309  -8.904  -99.200  -91.000
      TRP6 11     1.020    31.610  19.271  -8.269  -99.200  -91.000
       HIS 14     0.900    20.270  13.024  -2.776  -99.200  -91.000
       PHE 19     1.000    25.066  17.261  -3.458  -99.200  -91.000
       TYR 20     0.840    35.781  18.471  -5.071  -99.200  -91.000
       TRP 28     1.040    30.206  31.098   2.831  -99.200  -91.000
      TRP6 28     1.020    29.584  32.656   1.136  -99.200  -91.000
       HIS 41     0.900    26.867  29.130  -7.654  -99.200  -91.000
       HIS 46     0.900    17.309  23.877  -2.145  -99.200  -91.000
       TYR 53     0.840    24.697  12.428  -1.159  -99.200  -91.000
       TRP 63     1.040    33.397  28.137   5.330  -99.200  -91.000
      TRP6 63     1.020    32.200  29.440   6.929  -99.200  -91.000
       TRP 75     1.040    20.094  33.511   7.159  -99.200  -91.000
      TRP6 75     1.020    22.443  33.265   7.275  -99.200  -91.000
       TRP 77     1.040    19.917  27.963  -0.239  -99.200  -91.000
      TRP6 77     1.020    21.332  26.964   1.385  -99.200  -91.000
       TYR 85     0.840    15.894  21.131   5.402  -99.200  -91.000
       TRP 88     1.040    18.777  28.624  10.437  -99.200  -91.000
      TRP6 88     1.020    20.917  29.439   9.799  -99.200  -91.000
       TRP 112     1.040    22.088  23.861   7.820  -99.200  -91.000
      TRP6 112     1.020    20.387  24.756   6.420  -99.200  -91.000
       HIS 121     0.900    35.204  26.207   9.934  -99.200  -91.000