============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 27 0.840 61.709 -37.068 3.081 -99.200 -91.000 TYR 30 0.840 57.706 -32.622 4.779 -99.200 -91.000 TRP 36 1.040 57.989 -22.775 13.735 -99.200 -91.000 TRP6 36 1.020 56.587 -21.675 12.170 -99.200 -91.000 TRP 46 1.040 48.223 -21.383 12.975 -99.200 -91.000 TRP6 46 1.020 49.651 -21.339 11.106 -99.200 -91.000 PHE 49 1.000 54.026 -17.766 10.146 -99.200 -91.000 PHE 53 1.000 57.421 -13.677 9.396 -99.200 -91.000 PHE 54 1.000 52.654 -15.176 5.064 -99.200 -91.000 HIS 56 0.900 54.218 -7.440 4.320 -99.200 -91.000 TYR 77 0.840 50.108 -8.253 20.195 -99.200 -91.000 PHE 78 1.000 40.258 -3.047 18.264 -99.200 -91.000 TYR 89 0.840 39.164 13.486 23.878 -99.200 -91.000 PHE 104 1.000 48.567 12.245 17.081 -99.200 -91.000 TRP 124 1.040 45.888 -1.431 19.173 -99.200 -91.000 TRP6 124 1.020 44.514 -0.795 17.339 -99.200 -91.000 TYR 132 0.840 50.794 -3.302 21.874 -99.200 -91.000 PHE 134 1.000 42.271 -5.990 27.944 -99.200 -91.000 TYR 142 0.840 39.574 -2.108 27.967 -99.200 -91.000 PHE 144 1.000 50.493 3.968 27.708 -99.200 -91.000 PHE 156 1.000 42.909 13.457 17.854 -99.200 -91.000 TYR 166 0.840 55.356 -6.650 20.746 -99.200 -91.000 TRP 183 1.040 64.931 -13.324 8.451 -99.200 -91.000 TRP6 183 1.020 62.975 -14.420 7.723 -99.200 -91.000 HIS 184 0.900 64.755 -6.359 13.148 -99.200 -91.000 TRP 186 1.040 64.072 -5.626 18.454 -99.200 -91.000 TRP6 186 1.020 63.222 -4.711 20.469 -99.200 -91.000 HIS 190 0.900 53.660 -0.221 16.662 -99.200 -91.000 HIS 192 0.900 48.742 -0.984 16.383 -99.200 -91.000 TRP 193 1.040 46.400 6.595 15.299 -99.200 -91.000 TRP6 193 1.020 45.601 8.204 16.825 -99.200 -91.000 TYR 200 0.840 32.617 11.326 5.687 -99.200 -91.000 TYR 208 0.840 54.871 2.789 11.658 -99.200 -91.000 PHE 209 1.000 56.261 8.135 17.796 -99.200 -91.000 TRP 214 1.040 64.210 -1.873 16.482 -99.200 -91.000 TRP6 214 1.020 66.104 -3.163 15.847 -99.200 -91.000 HIS 236 0.900 55.305 19.181 25.862 -99.200 -91.000 PHE 237 1.000 60.545 14.201 22.838 -99.200 -91.000 TYR 241 0.840 48.946 11.616 9.951 -99.200 -91.000 PHE 243 1.000 44.819 10.379 12.136 -99.200 -91.000