============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 1 0.840 -2.057 18.050 -18.611 -99.200 -91.000 TYR 30 0.840 5.394 11.998 -28.334 -99.200 -91.000 TRP 33 1.040 -0.513 4.004 -20.975 -99.200 -91.000 TRP6 33 1.020 -2.515 4.257 -19.752 -99.200 -91.000 TYR 34 0.840 5.885 4.762 -16.315 -99.200 -91.000 TYR 35 0.840 2.107 -4.805 -13.019 -99.200 -91.000 TYR 47 0.840 9.018 4.180 -25.862 -99.200 -91.000 PHE 50 1.000 3.418 3.850 -31.683 -99.200 -91.000 TYR 84 0.840 -1.817 -2.491 -15.271 -99.200 -91.000 TYR 85 0.840 0.319 4.320 -10.514 -99.200 -91.000 TRP 89 1.040 7.444 14.389 -19.723 -99.200 -91.000 TRP6 89 1.020 9.324 15.008 -18.452 -99.200 -91.000 PHE 104 1.000 4.540 9.468 -12.454 -99.200 -91.000 PHE 125 1.000 -13.388 -12.159 17.684 -99.200 -91.000 PHE 146 1.000 -13.469 -8.685 1.433 -99.200 -91.000 TYR 147 0.840 -12.229 -12.804 -6.478 -99.200 -91.000 TRP 155 1.040 -17.066 0.480 12.944 -99.200 -91.000 TRP6 155 1.020 -16.783 -1.457 14.253 -99.200 -91.000 TYR 179 0.840 -9.342 -9.569 -3.194 -99.200 -91.000 TYR 184 0.840 -8.573 -3.445 14.379 -99.200 -91.000 TRP 192 1.040 -18.713 -2.864 25.866 -99.200 -91.000 TRP6 192 1.020 -19.572 -3.656 23.813 -99.200 -91.000 HIS 195 0.900 -23.403 4.251 22.860 -99.200 -91.000 TYR 198 0.840 -20.907 1.156 20.552 -99.200 -91.000 HIS 204 0.900 -17.846 -8.249 -1.712 -99.200 -91.000