============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 -27.426 21.608 -26.286 -99.200 -91.000 PHE 24 1.000 -21.897 23.451 -23.740 -99.200 -91.000 TRP 32 1.040 -17.084 24.304 -19.373 -99.200 -91.000 TRP6 32 1.020 -15.686 22.707 -20.416 -99.200 -91.000 PHE 35 1.000 -16.129 21.815 -31.355 -99.200 -91.000 HIS 47 0.900 -22.338 8.824 -36.948 -99.200 -91.000 PHE 55 1.000 -12.598 16.776 -31.693 -99.200 -91.000 TYR 60 0.840 -13.001 19.836 -27.986 -99.200 -91.000 TYR 69 0.840 -34.346 8.391 -23.913 -99.200 -91.000 TRP 70 1.040 -33.756 8.412 -18.422 -99.200 -91.000 TRP6 70 1.020 -34.223 6.171 -19.016 -99.200 -91.000 PHE 78 1.000 -29.422 11.317 -8.319 -99.200 -91.000 HIS 79 0.900 -27.468 10.413 -12.849 -99.200 -91.000 HIS 81 0.900 -26.193 18.168 -17.499 -99.200 -91.000 PHE 86 1.000 -13.760 14.308 -25.055 -99.200 -91.000 TYR 96 0.840 -10.809 11.948 -29.163 -99.200 -91.000 TYR 105 0.840 -33.542 7.270 -9.214 -99.200 -91.000 TYR 107 0.840 -24.305 9.389 -16.215 -99.200 -91.000