============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 14 1.040 -5.338 11.088 61.875 -99.200 -91.000 TRP6 14 1.020 -4.286 12.821 63.083 -99.200 -91.000 TRP 33 1.040 -17.058 16.444 58.405 -99.200 -91.000 TRP6 33 1.020 -15.626 14.919 57.290 -99.200 -91.000 TRP 37 1.040 -10.869 15.069 57.075 -99.200 -91.000 TRP6 37 1.020 -11.080 14.369 59.327 -99.200 -91.000 PHE 47 1.000 2.762 21.952 64.894 -99.200 -91.000 HIS 51 0.900 13.859 25.321 62.572 -99.200 -91.000 TYR 53 0.840 5.902 17.940 64.248 -99.200 -91.000 PHE 57 1.000 13.323 19.224 71.963 -99.200 -91.000 HIS 62 0.900 8.502 36.042 73.992 -99.200 -91.000 TRP 69 1.040 2.487 31.135 73.714 -99.200 -91.000 TRP6 69 1.020 3.601 33.231 73.708 -99.200 -91.000 TRP 71 1.040 5.410 22.351 68.963 -99.200 -91.000 TRP6 71 1.020 5.524 19.979 69.003 -99.200 -91.000 TYR 99 0.840 -8.135 10.945 73.681 -99.200 -91.000 TRP 106 1.040 -4.800 19.560 73.424 -99.200 -91.000 TRP6 106 1.020 -4.948 21.836 74.089 -99.200 -91.000 TYR 109 0.840 0.420 24.528 74.544 -99.200 -91.000 TYR 137 0.840 -14.774 22.783 82.141 -99.200 -91.000 PHE 139 1.000 -9.716 23.826 72.594 -99.200 -91.000 PHE 165 1.000 -2.902 16.323 89.509 -99.200 -91.000 TYR 173 0.840 -18.258 13.120 90.721 -99.200 -91.000 PHE 189 1.000 -12.361 25.178 87.642 -99.200 -91.000 HIS 190 0.900 -16.028 27.696 82.296 -99.200 -91.000 PHE 194 1.000 -19.896 21.902 81.551 -99.200 -91.000 PHE 200 1.000 -24.503 11.776 87.846 -99.200 -91.000 PHE 201 1.000 -21.016 15.913 89.090 -99.200 -91.000 TYR 215 0.840 -26.077 18.556 81.871 -99.200 -91.000 TYR 220 0.840 -25.247 18.923 75.921 -99.200 -91.000 PHE 223 1.000 -26.885 26.663 73.843 -99.200 -91.000 PHE 224 1.000 -26.015 22.889 70.871 -99.200 -91.000 TYR 241 0.840 -12.492 27.320 67.213 -99.200 -91.000 TRP 243 1.040 -19.290 20.418 75.008 -99.200 -91.000 TRP6 243 1.020 -19.831 22.339 76.259 -99.200 -91.000 TRP 245 1.040 -25.641 17.516 68.083 -99.200 -91.000 TRP6 245 1.020 -27.312 19.039 67.422 -99.200 -91.000 TRP 246 1.040 -21.063 15.471 68.994 -99.200 -91.000 TRP6 246 1.020 -22.903 14.127 68.403 -99.200 -91.000 TYR 256 0.840 -21.426 7.454 88.262 -99.200 -91.000 TRP 258 1.040 -25.728 5.382 83.571 -99.200 -91.000 TRP6 258 1.020 -25.663 7.237 84.997 -99.200 -91.000 HIS 268 0.900 -28.033 17.782 71.299 -99.200 -91.000 TYR 269 0.840 -25.797 8.672 76.157 -99.200 -91.000 TYR 276 0.840 -14.023 2.034 70.437 -99.200 -91.000