============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 21 1.040 54.472 15.642 -13.646 -99.200 -91.000 TRP6 21 1.020 52.543 16.098 -14.942 -99.200 -91.000 HIS 23 0.900 50.909 10.029 -5.408 -99.200 -91.000 PHE 29 1.000 39.283 6.567 4.376 -99.200 -91.000 TRP 52 1.040 43.518 7.699 0.570 -99.200 -91.000 TRP6 52 1.020 43.551 8.397 2.825 -99.200 -91.000 PHE 68 1.000 54.975 11.444 -15.997 -99.200 -91.000 HIS 79 0.900 52.791 8.462 7.772 -99.200 -91.000 HIS 81 0.900 49.259 6.876 10.318 -99.200 -91.000 HIS 99 0.900 63.934 2.396 -2.418 -99.200 -91.000 TYR 113 0.840 48.813 -1.073 6.082 -99.200 -91.000 PHE 128 1.000 65.495 6.729 -6.851 -99.200 -91.000 PHE 136 1.000 66.505 15.316 8.679 -99.200 -91.000 TYR 137 0.840 63.030 9.540 12.728 -99.200 -91.000 HIS 142 0.900 50.789 11.759 10.783 -99.200 -91.000 TRP 150 1.040 66.367 19.098 0.169 -99.200 -91.000 TRP6 150 1.020 65.185 21.140 0.311 -99.200 -91.000 TYR 154 0.840 63.656 19.581 -9.701 -99.200 -91.000 TYR 178 0.840 55.669 9.121 19.627 -99.200 -91.000 TRP 182 1.040 54.269 17.422 14.228 -99.200 -91.000 TRP6 182 1.020 52.104 16.500 14.009 -99.200 -91.000 TYR 193 0.840 66.037 19.440 4.112 -99.200 -91.000 HIS 203 0.900 46.098 13.938 4.323 -99.200 -91.000 HIS 214 0.900 48.740 26.807 9.457 -99.200 -91.000