============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 -20.572 -2.661 10.239 -99.200 -91.000 HIS 13 0.900 -30.906 -1.372 14.782 -99.200 -91.000 PHE 22 1.000 -26.041 3.795 17.944 -99.200 -91.000 TYR 26 0.840 -14.767 -5.468 13.190 -99.200 -91.000 PHE 30 1.000 -6.226 -2.371 13.995 -99.200 -91.000 HIS 31 0.900 0.633 -6.478 16.059 -99.200 -91.000 HIS 51 0.900 -11.796 4.054 20.833 -99.200 -91.000 PHE 56 1.000 -4.819 -9.879 21.830 -99.200 -91.000 TRP 60 1.040 -0.448 -13.774 18.430 -99.200 -91.000 TRP6 60 1.020 -0.922 -13.938 20.739 -99.200 -91.000 PHE 62 1.000 -3.330 -5.122 18.703 -99.200 -91.000 TYR 63 0.840 -11.659 -7.810 17.932 -99.200 -91.000 TYR 66 0.840 -12.232 3.988 16.053 -99.200 -91.000 TYR 67 0.840 -19.837 2.881 19.511 -99.200 -91.000 PHE 70 1.000 -26.086 6.443 9.892 -99.200 -91.000 TYR 78 0.840 -23.965 9.868 7.190 -99.200 -91.000 HIS 84 0.900 -1.834 -0.028 10.919 -99.200 -91.000 TRP 95 1.040 -23.502 3.122 5.160 -99.200 -91.000 TRP6 95 1.020 -25.515 4.361 5.146 -99.200 -91.000