============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 5 0.840 11.647 14.718 -3.813 -99.200 -91.000 TRP 7 1.040 8.257 10.502 4.859 -99.200 -91.000 TRP6 7 1.020 10.028 11.233 6.216 -99.200 -91.000 PHE 11 1.000 2.653 9.700 3.547 -99.200 -91.000 TRP 15 1.040 2.154 18.923 -3.094 -99.200 -91.000 TRP6 15 1.020 4.013 19.729 -1.877 -99.200 -91.000 PHE 18 1.000 12.856 20.059 8.933 -99.200 -91.000 PHE 33 1.000 -1.829 17.501 14.281 -99.200 -91.000 TYR 46 0.840 -2.469 19.081 4.430 -99.200 -91.000 PHE 49 1.000 5.821 11.139 7.526 -99.200 -91.000 PHE 57 1.000 3.457 27.978 7.452 -99.200 -91.000 PHE 84 1.000 -7.259 21.055 23.666 -99.200 -91.000 HIS 85 0.900 -10.295 23.135 29.760 -99.200 -91.000 PHE 91 1.000 -6.651 10.205 23.382 -99.200 -91.000 TRP 97 1.040 0.341 14.656 31.814 -99.200 -91.000 TRP6 97 1.020 0.396 16.924 32.399 -99.200 -91.000 PHE 99 1.000 -0.626 15.720 42.597 -99.200 -91.000 TYR 105 0.840 8.690 15.363 34.178 -99.200 -91.000 PHE 114 1.000 22.268 18.305 36.979 -99.200 -91.000 HIS 124 0.900 23.596 21.126 48.980 -99.200 -91.000 TYR 129 0.840 13.741 25.359 47.619 -99.200 -91.000 PHE 151 1.000 -7.749 15.907 25.323 -99.200 -91.000 HIS 153 0.900 -2.297 23.168 24.715 -99.200 -91.000 PHE 180 1.000 -3.277 20.416 19.409 -99.200 -91.000 TYR 182 0.840 4.551 18.659 27.408 -99.200 -91.000 TYR 185 0.840 -10.577 13.132 28.894 -99.200 -91.000 TYR 187 0.840 -7.257 16.573 39.255 -99.200 -91.000 PHE 190 1.000 -0.945 21.633 34.945 -99.200 -91.000 HIS 195 0.900 -3.151 31.517 29.376 -99.200 -91.000 PHE 196 1.000 -5.542 32.789 35.295 -99.200 -91.000 TRP 199 1.040 -1.358 35.834 31.767 -99.200 -91.000 TRP6 199 1.020 -2.602 37.817 32.138 -99.200 -91.000 TYR 201 0.840 7.570 31.668 34.702 -99.200 -91.000 TYR 203 0.840 8.969 29.729 28.442 -99.200 -91.000 TYR 205 0.840 17.235 37.916 28.218 -99.200 -91.000 TYR 208 0.840 22.747 31.088 31.499 -99.200 -91.000 PHE 210 1.000 20.479 31.540 25.820 -99.200 -91.000 PHE 211 1.000 14.497 31.643 32.826 -99.200 -91.000 TYR 218 0.840 -0.603 34.374 38.889 -99.200 -91.000 HIS 226 0.900 -11.404 40.434 29.976 -99.200 -91.000 PHE 227 1.000 -8.364 32.428 30.863 -99.200 -91.000 TYR 231 0.840 -13.037 27.474 31.348 -99.200 -91.000 PHE 235 1.000 -16.063 23.220 31.176 -99.200 -91.000 PHE 239 1.000 -20.956 31.712 34.679 -99.200 -91.000 PHE 261 1.000 -6.016 21.572 40.810 -99.200 -91.000 HIS 266 0.900 4.558 28.789 39.677 -99.200 -91.000 PHE 267 1.000 6.786 19.985 43.785 -99.200 -91.000 TRP 269 1.040 4.925 23.107 33.224 -99.200 -91.000 TRP6 269 1.020 5.154 21.229 31.782 -99.200 -91.000 TRP 272 1.040 9.838 19.348 31.089 -99.200 -91.000 TRP6 272 1.020 10.831 21.288 30.196 -99.200 -91.000 PHE 284 1.000 15.173 27.751 28.827 -99.200 -91.000 TYR 286 0.840 16.488 22.968 29.417 -99.200 -91.000 TYR 289 0.840 11.203 27.633 33.235 -99.200 -91.000 PHE 294 1.000 10.781 23.232 42.398 -99.200 -91.000 TYR 297 0.840 5.216 24.725 45.576 -99.200 -91.000 PHE 298 1.000 8.964 26.433 48.381 -99.200 -91.000 HIS 299 0.900 5.131 35.908 45.446 -99.200 -91.000