============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 35 0.840 10.576 -2.687 2.209 -99.200 -91.000 PHE 41 1.000 3.267 -3.851 7.811 -99.200 -91.000 TYR 80 0.840 -6.784 -23.141 14.476 -99.200 -91.000 HIS 87 0.900 -8.357 -29.492 27.674 -99.200 -91.000 TYR 104 0.840 -0.604 -27.672 19.664 -99.200 -91.000 PHE 126 1.000 4.118 -7.616 29.660 -99.200 -91.000 PHE 135 1.000 0.501 -5.321 21.815 -99.200 -91.000 HIS 172 0.900 18.412 -9.169 31.829 -99.200 -91.000 TRP 185 1.040 4.976 -22.457 26.969 -99.200 -91.000 TRP6 185 1.020 4.261 -20.803 28.495 -99.200 -91.000 TRP 204 1.040 21.463 -20.385 10.454 -99.200 -91.000 TRP6 204 1.020 21.061 -18.120 9.875 -99.200 -91.000 TYR 215 0.840 -8.960 -6.293 3.972 -99.200 -91.000 TRP 225 1.040 19.309 -18.788 20.109 -99.200 -91.000 TRP6 225 1.020 16.965 -18.958 20.354 -99.200 -91.000 TYR 237 0.840 3.990 -7.926 12.164 -99.200 -91.000 PHE 238 1.000 2.480 -10.028 1.564 -99.200 -91.000