============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 -44.149 -14.186 33.467 -99.200 -91.000 TYR 31 0.840 -29.454 -15.156 38.037 -99.200 -91.000 TYR 36 0.840 -32.745 -18.764 32.990 -99.200 -91.000 TYR 37 0.840 -34.543 -17.410 25.184 -99.200 -91.000 PHE 38 1.000 -39.204 -14.971 31.485 -99.200 -91.000 TRP 40 1.040 -46.001 -11.292 28.684 -99.200 -91.000 TRP6 40 1.020 -43.647 -11.114 28.868 -99.200 -91.000 TYR 42 0.840 -52.754 -12.672 19.769 -99.200 -91.000 PHE 57 1.000 -40.654 -9.035 18.654 -99.200 -91.000 PHE 66 1.000 -26.681 -7.162 15.840 -99.200 -91.000 TYR 89 0.840 -11.065 4.010 4.782 -99.200 -91.000 TRP 90 1.040 -17.909 9.100 -0.851 -99.200 -91.000 TRP6 90 1.020 -19.903 9.712 0.269 -99.200 -91.000 TRP 98 1.040 -17.552 16.330 4.396 -99.200 -91.000 TRP6 98 1.020 -18.383 14.662 5.855 -99.200 -91.000 HIS 105 0.900 -13.996 13.707 14.673 -99.200 -91.000 TYR 109 0.840 -24.306 8.412 17.456 -99.200 -91.000 PHE 131 1.000 -27.351 14.269 3.971 -99.200 -91.000 TYR 132 0.840 -23.478 11.661 4.233 -99.200 -91.000 TRP 135 1.040 -23.713 18.366 7.792 -99.200 -91.000 TRP6 135 1.020 -21.515 17.889 8.511 -99.200 -91.000 TRP 139 1.040 -22.379 22.670 17.220 -99.200 -91.000 TRP6 139 1.020 -23.861 20.834 17.100 -99.200 -91.000 TYR 147 0.840 -29.173 8.106 18.113 -99.200 -91.000 PHE 155 1.000 -17.545 3.233 12.083 -99.200 -91.000 PHE 167 1.000 -23.540 -2.403 7.484 -99.200 -91.000 PHE 176 1.000 -26.311 -10.143 11.234 -99.200 -91.000 HIS 183 0.900 -33.402 -18.836 12.888 -99.200 -91.000 TRP 185 1.040 -33.075 -13.299 8.841 -99.200 -91.000 TRP6 185 1.020 -31.796 -14.594 7.335 -99.200 -91.000 TYR 196 0.840 -40.571 -8.199 9.158 -99.200 -91.000 TRP 198 1.040 -47.875 -7.738 9.456 -99.200 -91.000 TRP6 198 1.020 -47.262 -6.309 7.669 -99.200 -91.000 TYR 200 0.840 -50.014 -4.537 14.844 -99.200 -91.000 HIS 207 0.900 -43.418 -5.918 8.288 -99.200 -91.000 TYR 218 0.840 -33.402 3.368 9.319 -99.200 -91.000 TRP 230 1.040 -25.905 -7.879 19.666 -99.200 -91.000 TRP6 230 1.020 -23.864 -8.037 18.471 -99.200 -91.000 TYR 256 0.840 -14.000 4.695 21.004 -99.200 -91.000 TRP 257 1.040 -16.338 11.031 21.317 -99.200 -91.000 TRP6 257 1.020 -14.915 12.869 20.896 -99.200 -91.000 TYR 263 0.840 -17.982 7.449 31.003 -99.200 -91.000 TRP 268 1.040 -22.635 -2.510 22.358 -99.200 -91.000 TRP6 268 1.020 -24.767 -3.324 22.987 -99.200 -91.000 TRP 273 1.040 -23.768 -2.197 38.589 -99.200 -91.000 TRP6 273 1.020 -26.089 -1.852 38.270 -99.200 -91.000 TRP 309 1.040 -27.751 0.531 31.978 -99.200 -91.000 TRP6 309 1.020 -29.198 -0.932 33.144 -99.200 -91.000 HIS 311 0.900 -28.394 2.685 28.017 -99.200 -91.000 PHE 319 1.000 -41.657 -4.369 14.646 -99.200 -91.000 TYR 322 0.840 -32.929 -0.356 27.490 -99.200 -91.000 PHE 325 1.000 -23.838 -5.671 27.236 -99.200 -91.000 TYR 341 0.840 -42.229 -0.009 25.233 -99.200 -91.000 TRP 351 1.040 -33.824 0.487 38.459 -99.200 -91.000 TRP6 351 1.020 -31.609 0.539 39.266 -99.200 -91.000