============================================================================= 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. TRP 14 1.040 13.454 40.695 52.650 -99.200 -91.000 TRP6 14 1.020 14.689 42.579 51.938 -99.200 -91.000 PHE 19 1.000 9.137 28.901 67.942 -99.200 -91.000 TRP 37 1.040 -1.199 44.528 57.042 -99.200 -91.000 TRP6 37 1.020 -3.015 43.014 57.009 -99.200 -91.000 HIS 43 0.900 2.562 25.133 51.796 -99.200 -91.000 TYR 47 0.840 -2.094 19.711 52.304 -99.200 -91.000 TRP 49 1.040 -0.136 15.993 54.671 -99.200 -91.000 TRP6 49 1.020 1.930 17.058 54.253 -99.200 -91.000 PHE 53 1.000 -0.494 25.236 62.826 -99.200 -91.000 HIS 65 0.900 22.861 34.644 60.678 -99.200 -91.000 TYR 70 0.840 14.698 35.911 73.006 -99.200 -91.000 TYR 84 0.840 -7.398 39.244 57.351 -99.200 -91.000 HIS 86 0.900 -7.030 34.200 46.650 -99.200 -91.000 TYR 89 0.840 -4.412 26.761 50.219 -99.200 -91.000 TRP 91 1.040 -7.967 23.176 50.899 -99.200 -91.000 TRP6 91 1.020 -9.032 21.100 51.243 -99.200 -91.000 PHE 110 1.000 9.668 48.947 59.509 -99.200 -91.000 TYR 113 0.840 20.845 43.466 63.529 -99.200 -91.000 HIS 115 0.900 14.003 48.682 55.865 -99.200 -91.000 TYR 132 0.840 15.988 38.988 33.228 -99.200 -91.000 TRP 139 1.040 16.377 30.297 59.999 -99.200 -91.000 TRP6 139 1.020 14.828 32.083 59.826 -99.200 -91.000 PHE 176 1.000 8.167 32.745 40.295 -99.200 -91.000 TYR 180 0.840 21.629 27.355 38.902 -99.200 -91.000 PHE 199 1.000 12.687 33.625 42.760 -99.200 -91.000 PHE 205 1.000 14.761 48.222 35.282 -99.200 -91.000 TRP 209 1.040 17.526 43.361 47.892 -99.200 -91.000 TRP6 209 1.020 18.296 41.389 46.838 -99.200 -91.000 TYR 210 0.840 10.539 46.288 43.589 -99.200 -91.000 TRP 217 1.040 3.719 23.413 44.118 -99.200 -91.000 TRP6 217 1.020 4.277 21.920 42.372 -99.200 -91.000 TYR 227 0.840 13.480 22.687 36.572 -99.200 -91.000 PHE 229 1.000 6.569 23.944 39.584 -99.200 -91.000 TYR 230 0.840 10.343 29.422 44.291 -99.200 -91.000 HIS 232 0.900 3.305 36.126 38.741 -99.200 -91.000 PHE 234 1.000 1.177 42.580 38.745 -99.200 -91.000 TRP 239 1.040 -6.942 37.843 48.811 -99.200 -91.000 TRP6 239 1.020 -5.089 37.277 50.159 -99.200 -91.000 PHE 247 1.000 -10.708 42.254 56.318 -99.200 -91.000