============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 12 0.840 22.863 49.020 75.978 -99.200 -91.000 TYR 17 0.840 20.118 40.690 70.868 -99.200 -91.000 TYR 18 0.840 22.238 49.034 68.717 -99.200 -91.000 PHE 30 1.000 19.115 58.163 60.231 -99.200 -91.000 PHE 34 1.000 17.730 45.593 60.539 -99.200 -91.000 TRP 42 1.040 9.720 54.184 63.965 -99.200 -91.000 TRP6 42 1.020 10.868 55.119 65.494 -99.200 -91.000 TYR 52 0.840 8.198 65.334 71.403 -99.200 -91.000 TYR 57 0.840 20.390 63.283 75.432 -99.200 -91.000 HIS 58 0.900 17.553 58.496 70.440 -99.200 -91.000 PHE 61 1.000 16.206 61.528 55.736 -99.200 -91.000 TYR 69 0.840 12.426 64.498 50.942 -99.200 -91.000 HIS 71 0.900 6.223 66.736 50.636 -99.200 -91.000 TYR 80 0.840 5.924 50.621 67.207 -99.200 -91.000 PHE 88 1.000 7.248 64.699 57.539 -99.200 -91.000 PHE 105 1.000 12.543 57.702 55.144 -99.200 -91.000 PHE 116 1.000 10.259 55.017 71.145 -99.200 -91.000 PHE 121 1.000 15.357 50.952 69.403 -99.200 -91.000 PHE 129 1.000 3.712 38.170 56.525 -99.200 -91.000 PHE 141 1.000 12.341 39.671 52.894 -99.200 -91.000 PHE 155 1.000 12.271 38.141 57.700 -99.200 -91.000 PHE 157 1.000 15.808 38.943 63.068 -99.200 -91.000 TYR 158 0.840 24.192 33.890 66.708 -99.200 -91.000 TYR 159 0.840 17.854 39.111 68.260 -99.200 -91.000 HIS 179 0.900 26.413 32.396 63.781 -99.200 -91.000 TYR 180 0.840 21.112 26.651 60.565 -99.200 -91.000 PHE 184 1.000 16.584 26.655 60.371 -99.200 -91.000 HIS 185 0.900 12.975 20.094 63.838 -99.200 -91.000 TYR 186 0.840 11.099 25.108 58.240 -99.200 -91.000 TRP 195 1.040 6.656 37.500 60.244 -99.200 -91.000 TRP6 195 1.020 7.106 35.965 58.493 -99.200 -91.000 TYR 225 0.840 13.109 42.242 79.207 -99.200 -91.000 PHE 247 1.000 7.467 50.113 84.736 -99.200 -91.000 TYR 249 0.840 5.456 39.375 87.484 -99.200 -91.000 PHE 264 1.000 7.852 29.599 76.238 -99.200 -91.000 HIS 265 0.900 3.707 20.876 71.945 -99.200 -91.000 TYR 271 0.840 10.733 24.872 69.633 -99.200 -91.000 TYR 278 0.840 13.445 30.882 83.668 -99.200 -91.000 PHE 280 1.000 18.025 39.666 81.545 -99.200 -91.000 TYR 284 0.840 25.319 32.562 90.850 -99.200 -91.000 HIS 293 0.900 8.772 42.192 81.037 -99.200 -91.000 TRP 305 1.040 1.499 33.026 75.746 -99.200 -91.000 TRP6 305 1.020 2.697 32.855 77.707 -99.200 -91.000 PHE 311 1.000 11.434 30.340 71.621 -99.200 -91.000 PHE 315 1.000 15.039 26.881 71.247 -99.200 -91.000 TYR 316 0.840 20.001 31.005 62.364 -99.200 -91.000 PHE 319 1.000 11.304 35.613 61.776 -99.200 -91.000 PHE 328 1.000 10.918 28.971 66.660 -99.200 -91.000