============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 4 1.000 21.534 -1.901 25.639 -99.200 -91.000 PHE 10 1.000 27.010 9.608 13.942 -99.200 -91.000 TYR 16 0.840 28.222 15.032 11.286 -99.200 -91.000 TYR 23 0.840 13.039 15.696 17.669 -99.200 -91.000 TRP 38 1.040 21.849 10.898 14.501 -99.200 -91.000 TRP6 38 1.020 22.138 8.538 14.378 -99.200 -91.000 TYR 41 0.840 21.773 19.775 14.129 -99.200 -91.000 TRP 49 1.040 22.655 11.593 6.063 -99.200 -91.000 TRP6 49 1.020 24.512 12.907 5.451 -99.200 -91.000 PHE 50 1.000 15.422 13.618 9.347 -99.200 -91.000 TRP 62 1.040 22.451 0.457 18.312 -99.200 -91.000 TRP6 62 1.020 20.216 0.731 17.657 -99.200 -91.000 TRP 75 1.040 14.543 23.691 0.621 -99.200 -91.000 TRP6 75 1.020 12.368 24.038 1.496 -99.200 -91.000 TYR 79 0.840 16.000 22.164 12.949 -99.200 -91.000 TYR 84 0.840 3.055 4.629 13.290 -99.200 -91.000 PHE 90 1.000 -3.174 3.942 7.851 -99.200 -91.000 TYR 93 0.840 2.722 4.454 0.521 -99.200 -91.000 TYR 117 0.840 11.428 11.564 1.956 -99.200 -91.000 TYR 124 0.840 18.663 -3.312 5.079 -99.200 -91.000 TRP 126 1.040 14.769 5.145 3.990 -99.200 -91.000 TRP6 126 1.020 13.113 4.878 5.654 -99.200 -91.000 PHE 128 1.000 7.433 13.644 -1.177 -99.200 -91.000 HIS 131 0.900 6.213 17.939 -0.602 -99.200 -91.000 TRP 148 1.040 8.573 24.574 15.389 -99.200 -91.000 TRP6 148 1.020 10.716 25.301 14.771 -99.200 -91.000 PHE 151 1.000 4.037 10.197 18.741 -99.200 -91.000 TYR 154 0.840 -9.499 6.735 16.968 -99.200 -91.000 TYR 161 0.840 -1.809 13.196 17.520 -99.200 -91.000 TYR 162 0.840 1.327 19.800 11.950 -99.200 -91.000 HIS 171 0.900 -3.880 30.318 20.099 -99.200 -91.000 HIS 177 0.900 -5.864 15.898 14.762 -99.200 -91.000 TRP 186 1.040 -1.067 14.205 4.569 -99.200 -91.000 TRP6 186 1.020 -0.753 12.932 6.538 -99.200 -91.000 TYR 195 0.840 -2.860 25.669 27.357 -99.200 -91.000 TYR 198 0.840 1.017 35.930 19.812 -99.200 -91.000 TYR 199 0.840 3.334 37.651 24.121 -99.200 -91.000 TYR 214 0.840 -5.952 6.228 21.568 -99.200 -91.000 TYR 216 0.840 -1.829 16.104 22.648 -99.200 -91.000 TYR 218 0.840 -0.006 19.645 26.405 -99.200 -91.000 TYR 220 0.840 0.344 25.743 29.659 -99.200 -91.000 TYR 232 0.840 7.280 31.034 27.880 -99.200 -91.000 TRP 233 1.040 7.269 26.599 34.397 -99.200 -91.000 TRP6 233 1.020 7.637 24.724 35.788 -99.200 -91.000 PHE 234 1.000 9.612 26.316 27.029 -99.200 -91.000 TYR 237 0.840 0.351 21.771 32.697 -99.200 -91.000 TYR 238 0.840 -1.419 13.767 32.642 -99.200 -91.000 PHE 247 1.000 -5.495 13.409 23.060 -99.200 -91.000 HIS 252 0.900 -4.253 22.698 31.684 -99.200 -91.000 HIS 253 0.900 -5.735 16.105 34.371 -99.200 -91.000 TYR 268 0.840 8.949 9.507 22.499 -99.200 -91.000 TRP 271 1.040 -0.076 1.419 29.057 -99.200 -91.000 TRP6 271 1.020 -0.610 -0.596 27.949 -99.200 -91.000 TYR 274 0.840 6.437 -4.536 34.420 -99.200 -91.000 PHE 292 1.000 9.712 12.577 36.245 -99.200 -91.000 TRP 303 1.040 1.579 11.498 36.625 -99.200 -91.000 TRP6 303 1.020 2.412 10.503 34.648 -99.200 -91.000 TRP 306 1.040 9.937 4.754 39.316 -99.200 -91.000 TRP6 306 1.020 9.780 3.839 41.485 -99.200 -91.000 TYR 314 0.840 15.088 19.611 22.437 -99.200 -91.000 PHE 321 1.000 13.587 -3.741 23.627 -99.200 -91.000