============================================================================= 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. PHE 12 1.000 29.002 57.630 17.388 -99.200 -91.000 PHE 13 1.000 23.901 62.381 23.622 -99.200 -91.000 TRP 35 1.040 15.680 71.765 22.049 -99.200 -91.000 TRP6 35 1.020 14.493 73.603 21.155 -99.200 -91.000 TRP 45 1.040 20.830 61.785 15.830 -99.200 -91.000 TRP6 45 1.020 19.103 62.041 14.237 -99.200 -91.000 TYR 49 0.840 31.332 51.989 6.219 -99.200 -91.000 TYR 56 0.840 29.829 55.766 8.717 -99.200 -91.000 TRP 70 1.040 20.104 67.528 -0.312 -99.200 -91.000 TRP6 70 1.020 21.082 66.880 -2.369 -99.200 -91.000 TYR 89 0.840 22.944 54.718 1.595 -99.200 -91.000 TRP 90 1.040 23.636 61.846 5.374 -99.200 -91.000 TRP6 90 1.020 23.402 64.104 4.713 -99.200 -91.000 TYR 91 0.840 31.053 59.776 0.398 -99.200 -91.000 TYR 96 0.840 44.383 60.749 15.346 -99.200 -91.000 TYR 106 0.840 26.860 57.260 -2.329 -99.200 -91.000 TYR 115 0.840 27.307 74.509 13.420 -99.200 -91.000 PHE 133 1.000 35.301 72.525 10.046 -99.200 -91.000 PHE 134 1.000 27.371 69.308 11.855 -99.200 -91.000 PHE 136 1.000 29.223 62.258 14.107 -99.200 -91.000 TYR 141 0.840 34.058 57.270 27.210 -99.200 -91.000 PHE 160 1.000 17.799 44.880 39.870 -99.200 -91.000 TRP 173 1.040 19.206 36.744 45.240 -99.200 -91.000 TRP6 173 1.020 19.630 34.422 45.373 -99.200 -91.000 TRP 175 1.040 18.375 46.765 44.909 -99.200 -91.000 TRP6 175 1.020 20.410 46.888 43.711 -99.200 -91.000 PHE 176 1.000 21.150 40.736 48.082 -99.200 -91.000 TRP 183 1.040 27.424 43.883 38.452 -99.200 -91.000 TRP6 183 1.020 28.861 42.013 38.281 -99.200 -91.000 TYR 187 0.840 36.098 52.559 25.534 -99.200 -91.000 TYR 194 0.840 31.884 50.734 27.878 -99.200 -91.000 TYR 204 0.840 38.022 43.718 36.556 -99.200 -91.000 TRP 207 1.040 31.759 32.685 27.212 -99.200 -91.000 TRP6 207 1.020 32.073 32.921 24.877 -99.200 -91.000 TYR 214 0.840 26.944 27.590 34.202 -99.200 -91.000 TYR 218 0.840 39.688 34.312 35.190 -99.200 -91.000 TYR 227 0.840 38.992 43.402 28.143 -99.200 -91.000 TRP 228 1.040 31.507 41.658 29.090 -99.200 -91.000 TRP6 228 1.020 30.142 39.783 28.637 -99.200 -91.000 TYR 232 0.840 21.771 53.505 23.986 -99.200 -91.000 TYR 240 0.840 22.120 50.442 28.262 -99.200 -91.000 TYR 243 0.840 25.789 42.905 20.505 -99.200 -91.000 TYR 255 0.840 20.031 26.904 31.506 -99.200 -91.000 HIS 264 0.900 24.149 28.214 36.464 -99.200 -91.000 TYR 270 0.840 21.055 39.914 18.599 -99.200 -91.000 HIS 271 0.900 18.994 33.041 19.082 -99.200 -91.000 TRP 278 1.040 21.297 41.848 30.055 -99.200 -91.000 TRP6 278 1.020 21.164 40.612 32.067 -99.200 -91.000