============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 11 1.000 15.859 14.761 23.254 -99.200 -91.000 TYR 17 0.840 23.103 12.635 20.436 -99.200 -91.000 PHE 19 1.000 27.465 9.916 18.682 -99.200 -91.000 TYR 23 0.840 17.929 7.564 29.539 -99.200 -91.000 TYR 30 0.840 22.796 15.517 42.407 -99.200 -91.000 HIS 36 0.900 21.520 10.796 26.943 -99.200 -91.000 TYR 37 0.840 25.806 6.885 31.230 -99.200 -91.000 PHE 49 1.000 40.196 10.488 24.746 -99.200 -91.000 HIS 53 0.900 26.082 19.890 28.603 -99.200 -91.000 TRP 58 1.040 21.763 18.511 23.522 -99.200 -91.000 TRP6 58 1.020 21.158 16.309 22.887 -99.200 -91.000 TYR 60 0.840 23.562 17.809 17.884 -99.200 -91.000 TYR 62 0.840 32.179 17.646 24.334 -99.200 -91.000 PHE 69 1.000 38.187 12.828 21.975 -99.200 -91.000 PHE 81 1.000 27.170 19.783 33.668 -99.200 -91.000 PHE 82 1.000 20.536 15.174 37.280 -99.200 -91.000 PHE 84 1.000 21.924 22.822 30.852 -99.200 -91.000 TYR 96 0.840 18.684 23.800 37.015 -99.200 -91.000 PHE 98 1.000 31.301 25.628 40.942 -99.200 -91.000 PHE 100 1.000 21.211 20.153 40.546 -99.200 -91.000 HIS 101 0.900 24.378 22.157 36.877 -99.200 -91.000 PHE 104 1.000 25.206 14.782 36.564 -99.200 -91.000 TRP 124 1.040 28.499 27.694 33.198 -99.200 -91.000 TRP6 124 1.020 28.960 27.781 35.517 -99.200 -91.000 PHE 127 1.000 33.118 28.874 32.997 -99.200 -91.000 PHE 140 1.000 39.438 13.417 36.950 -99.200 -91.000 PHE 160 1.000 40.977 32.577 34.842 -99.200 -91.000 PHE 163 1.000 34.249 35.708 31.409 -99.200 -91.000 PHE 171 1.000 28.414 36.240 31.022 -99.200 -91.000 TRP 174 1.040 26.697 33.364 27.151 -99.200 -91.000 TRP6 174 1.020 27.265 31.628 25.636 -99.200 -91.000 TYR 176 0.840 19.165 41.841 26.060 -99.200 -91.000 PHE 189 1.000 22.820 31.713 22.970 -99.200 -91.000 TRP 193 1.040 25.651 33.950 21.047 -99.200 -91.000 TRP6 193 1.020 27.301 35.487 21.765 -99.200 -91.000 TYR 205 0.840 23.614 22.710 19.991 -99.200 -91.000 PHE 209 1.000 16.635 23.141 26.853 -99.200 -91.000 TYR 214 0.840 9.840 20.599 29.005 -99.200 -91.000 PHE 221 1.000 25.382 25.668 33.594 -99.200 -91.000 PHE 242 1.000 44.656 18.600 40.480 -99.200 -91.000 TRP 243 1.040 43.420 22.458 37.253 -99.200 -91.000 TRP6 243 1.020 43.637 20.510 35.904 -99.200 -91.000 TRP 247 1.040 47.677 18.482 34.947 -99.200 -91.000 TRP6 247 1.020 46.199 16.640 34.785 -99.200 -91.000 PHE 252 1.000 45.713 19.764 21.498 -99.200 -91.000 TYR 268 0.840 48.068 32.833 24.662 -99.200 -91.000 HIS 288 0.900 32.038 30.277 24.820 -99.200 -91.000 PHE 289 1.000 28.690 27.368 21.907 -99.200 -91.000 PHE 293 1.000 36.936 25.767 12.937 -99.200 -91.000 HIS 304 0.900 50.836 17.704 22.672 -99.200 -91.000 PHE 305 1.000 46.402 14.299 25.272 -99.200 -91.000