=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 10 rings
        ring        int.           center             anis.    iso.
       HIS 43     0.900     5.991   9.261 -18.955  -99.200  -91.000
       PHE 45     1.000    14.618  13.396 -15.083  -99.200  -91.000
       HIS 46     0.900    10.869  20.392 -17.353  -99.200  -91.000
       HIS 48     0.900     9.072  21.258 -11.362  -99.200  -91.000
       TYR 50     0.840    10.780  26.912  -3.146  -99.200  -91.000
       HIS 63     0.900     8.442  23.319 -15.251  -99.200  -91.000
       PHE 64     1.000    16.617  26.399  -9.243  -99.200  -91.000
       HIS 71     0.900    24.658  38.800 -18.915  -99.200  -91.000
       HIS 72     0.900    15.450  25.188 -24.552  -99.200  -91.000
       HIS 112     0.900     6.561  18.198 -15.004  -99.200  -91.000