============================================================================= 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 13.532 40.744 52.440 -99.200 -91.000 TRP6 14 1.020 14.707 42.675 51.755 -99.200 -91.000 PHE 19 1.000 9.301 28.944 67.663 -99.200 -91.000 TRP 37 1.040 -1.131 44.467 56.853 -99.200 -91.000 TRP6 37 1.020 -2.931 42.934 56.953 -99.200 -91.000 HIS 43 0.900 2.705 25.033 51.616 -99.200 -91.000 TYR 47 0.840 -1.883 19.747 52.237 -99.200 -91.000 TRP 49 1.040 -0.161 15.839 54.620 -99.200 -91.000 TRP6 49 1.020 1.911 16.808 54.048 -99.200 -91.000 PHE 53 1.000 -0.313 25.261 62.535 -99.200 -91.000 HIS 65 0.900 22.826 34.789 60.527 -99.200 -91.000 TYR 70 0.840 14.803 35.859 72.868 -99.200 -91.000 TYR 84 0.840 -7.226 39.180 57.188 -99.200 -91.000 HIS 86 0.900 -6.773 34.197 46.489 -99.200 -91.000 TYR 89 0.840 -4.220 26.793 50.098 -99.200 -91.000 TRP 91 1.040 -7.920 23.277 50.764 -99.200 -91.000 TRP6 91 1.020 -9.001 21.216 51.152 -99.200 -91.000 PHE 110 1.000 9.677 48.810 59.405 -99.200 -91.000 TYR 113 0.840 20.736 43.560 63.407 -99.200 -91.000 HIS 115 0.900 13.964 48.658 55.550 -99.200 -91.000 TYR 132 0.840 15.991 38.924 33.158 -99.200 -91.000 TRP 139 1.040 16.509 30.307 59.796 -99.200 -91.000 TRP6 139 1.020 14.973 32.095 59.618 -99.200 -91.000 PHE 176 1.000 8.307 32.725 40.265 -99.200 -91.000 TYR 180 0.840 21.743 27.333 38.766 -99.200 -91.000 PHE 199 1.000 12.633 33.597 42.649 -99.200 -91.000 PHE 205 1.000 14.625 48.215 35.088 -99.200 -91.000 TRP 209 1.040 17.581 43.382 47.654 -99.200 -91.000 TRP6 209 1.020 18.371 41.383 46.669 -99.200 -91.000 TYR 210 0.840 10.535 46.235 43.438 -99.200 -91.000 TRP 217 1.040 3.810 23.419 43.991 -99.200 -91.000 TRP6 217 1.020 4.312 21.881 42.266 -99.200 -91.000 TYR 227 0.840 13.609 22.706 36.439 -99.200 -91.000 PHE 229 1.000 6.605 23.950 39.520 -99.200 -91.000 TYR 230 0.840 10.462 29.403 44.159 -99.200 -91.000 HIS 232 0.900 3.315 36.056 38.649 -99.200 -91.000 PHE 234 1.000 1.339 42.610 38.759 -99.200 -91.000 TRP 239 1.040 -6.759 37.841 48.741 -99.200 -91.000 TRP6 239 1.020 -4.937 37.236 50.111 -99.200 -91.000 PHE 247 1.000 -10.646 42.366 56.349 -99.200 -91.000