============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 -0.366 11.014 11.540 -99.200 -91.000 PHE 6 1.000 -1.047 11.061 18.556 -99.200 -91.000 HIS 17 0.900 -0.984 20.231 5.135 -99.200 -91.000 PHE 55 1.000 8.552 0.496 10.682 -99.200 -91.000 HIS 98 0.900 14.139 14.650 10.335 -99.200 -91.000 TYR 105 0.840 18.039 -3.162 -2.399 -99.200 -91.000 TYR 110 0.840 27.565 -8.279 -0.853 -99.200 -91.000 TYR 134 0.840 26.727 -4.063 2.445 -99.200 -91.000 PHE 161 1.000 16.505 -13.357 5.569 -99.200 -91.000 PHE 181 1.000 5.549 -2.147 14.178 -99.200 -91.000 TRP 188 1.040 13.642 -16.358 16.219 -99.200 -91.000 TRP6 188 1.020 13.156 -14.560 14.822 -99.200 -91.000 TYR 196 0.840 18.249 -10.020 20.825 -99.200 -91.000