============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 23 1.040 63.486 35.730 -52.508 -99.200 -91.000 TRP6 23 1.020 63.477 34.596 -50.424 -99.200 -91.000 TYR 34 0.840 79.886 35.449 -53.070 -99.200 -91.000 TYR 41 0.840 61.112 32.037 -59.152 -99.200 -91.000 PHE 42 1.000 57.407 25.382 -57.356 -99.200 -91.000 TYR 67 0.840 63.221 18.835 -55.809 -99.200 -91.000 TYR 86 0.840 48.867 44.089 -54.972 -99.200 -91.000 TRP 92 1.040 43.520 34.364 -54.891 -99.200 -91.000 TRP6 92 1.020 42.236 32.638 -55.898 -99.200 -91.000 TYR 102 0.840 51.255 19.334 -49.974 -99.200 -91.000 PHE 108 1.000 59.472 24.305 -34.113 -99.200 -91.000 TRP 124 1.040 65.123 36.692 -21.813 -99.200 -91.000 TRP6 124 1.020 63.330 37.453 -23.156 -99.200 -91.000 HIS 133 0.900 48.432 22.129 -31.906 -99.200 -91.000 TYR 135 0.840 43.326 21.788 -36.339 -99.200 -91.000 TYR 139 0.840 44.123 31.306 -32.857 -99.200 -91.000 HIS 167 0.900 26.136 29.740 -16.438 -99.200 -91.000 PHE 169 1.000 24.988 31.711 -20.107 -99.200 -91.000 HIS 179 0.900 38.188 21.085 -33.607 -99.200 -91.000 PHE 188 1.000 53.179 22.120 -30.463 -99.200 -91.000 TYR 195 0.840 64.036 24.810 -33.658 -99.200 -91.000 TRP 204 1.040 62.082 25.343 -20.505 -99.200 -91.000 TRP6 204 1.020 62.030 27.253 -19.116 -99.200 -91.000 PHE 205 1.000 52.756 21.470 -24.232 -99.200 -91.000 TYR 215 0.840 40.702 21.523 -25.424 -99.200 -91.000 HIS 216 0.900 44.968 24.177 -21.039 -99.200 -91.000 TYR 218 0.840 43.666 14.167 -26.361 -99.200 -91.000 PHE 219 1.000 46.410 20.598 -26.675 -99.200 -91.000 PHE 223 1.000 55.566 18.636 -26.443 -99.200 -91.000 TYR 241 0.840 58.370 17.519 -22.090 -99.200 -91.000 TYR 243 0.840 53.202 19.866 -18.156 -99.200 -91.000 TRP 262 1.040 57.033 28.561 -23.424 -99.200 -91.000 TRP6 262 1.020 56.571 30.822 -22.851 -99.200 -91.000 TYR 267 0.840 44.358 33.626 -26.513 -99.200 -91.000 PHE 280 1.000 65.505 37.016 -27.283 -99.200 -91.000 TYR 297 0.840 64.654 20.985 -40.540 -99.200 -91.000 PHE 299 1.000 65.929 26.598 -42.823 -99.200 -91.000 HIS 303 0.900 60.775 40.572 -42.825 -99.200 -91.000 HIS 309 0.900 60.467 50.183 -44.520 -99.200 -91.000 TYR 310 0.840 56.148 47.182 -53.506 -99.200 -91.000 TYR 311 0.840 51.586 50.539 -50.175 -99.200 -91.000 TYR 313 0.840 61.439 49.385 -55.032 -99.200 -91.000 PHE 328 1.000 71.679 35.260 -39.719 -99.200 -91.000 TRP 330 1.040 67.611 33.445 -49.716 -99.200 -91.000 TRP6 330 1.020 67.711 32.024 -51.615 -99.200 -91.000 PHE 349 1.000 78.085 31.386 -49.411 -99.200 -91.000 PHE 373 1.000 64.868 47.752 -30.671 -99.200 -91.000 TYR 381 0.840 68.859 55.907 -40.075 -99.200 -91.000 PHE 387 1.000 72.829 45.234 -42.887 -99.200 -91.000