============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 18 1.000 34.365 -5.878 14.114 -99.200 -91.000 HIS 23 0.900 50.632 2.117 22.050 -99.200 -91.000 PHE 36 1.000 41.658 -4.022 13.397 -99.200 -91.000 TRP 40 1.040 39.907 3.443 21.836 -99.200 -91.000 TRP6 40 1.020 38.222 5.080 22.097 -99.200 -91.000 TRP 60 1.040 44.401 21.745 25.599 -99.200 -91.000 TRP6 60 1.020 44.405 22.423 23.330 -99.200 -91.000 PHE 69 1.000 55.473 13.448 15.953 -99.200 -91.000 TYR 86 0.840 42.262 16.979 27.568 -99.200 -91.000 PHE 89 1.000 31.316 27.392 25.920 -99.200 -91.000 PHE 114 1.000 39.191 17.805 33.648 -99.200 -91.000 HIS 121 0.900 36.770 5.798 45.438 -99.200 -91.000 PHE 134 1.000 29.143 15.204 27.587 -99.200 -91.000 PHE 150 1.000 36.450 16.120 14.796 -99.200 -91.000 PHE 159 1.000 23.526 0.968 31.891 -99.200 -91.000 TRP 163 1.040 24.258 7.872 38.609 -99.200 -91.000 TRP6 163 1.020 23.020 8.820 40.386 -99.200 -91.000 TYR 175 0.840 24.895 13.283 27.123 -99.200 -91.000 HIS 186 0.900 33.245 0.723 29.227 -99.200 -91.000 PHE 198 1.000 21.470 3.021 25.370 -99.200 -91.000 TRP 202 1.040 19.927 3.987 20.786 -99.200 -91.000 TRP6 202 1.020 19.972 6.198 21.618 -99.200 -91.000 TYR 215 0.840 30.735 -6.219 27.020 -99.200 -91.000 TYR 216 0.840 37.955 -12.246 27.572 -99.200 -91.000 HIS 222 0.900 24.026 -10.983 22.385 -99.200 -91.000 PHE 223 1.000 29.509 -7.642 21.326 -99.200 -91.000 TRP 233 1.040 38.530 -5.197 18.074 -99.200 -91.000 TRP6 233 1.020 36.982 -6.616 19.192 -99.200 -91.000 HIS 236 0.900 42.275 -5.796 23.741 -99.200 -91.000 TYR 253 0.840 69.159 -7.363 35.220 -99.200 -91.000 PHE 272 1.000 66.829 0.466 9.118 -99.200 -91.000 TYR 287 0.840 62.491 16.257 -4.696 -99.200 -91.000