============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 3 1.000 14.471 5.915 17.930 -99.200 -91.000 PHE 6 1.000 8.592 14.007 25.390 -99.200 -91.000 TYR 10 0.840 14.338 22.589 36.071 -99.200 -91.000 PHE 36 1.000 16.736 12.010 19.706 -99.200 -91.000 TRP 40 1.040 7.429 15.034 20.261 -99.200 -91.000 TRP6 40 1.020 5.187 15.148 19.460 -99.200 -91.000 HIS 44 0.900 5.186 25.811 34.259 -99.200 -91.000 HIS 45 0.900 1.804 30.198 29.706 -99.200 -91.000 PHE 46 1.000 1.660 32.889 34.011 -99.200 -91.000 PHE 49 1.000 7.156 21.479 35.751 -99.200 -91.000 TYR 56 0.840 -0.375 26.847 19.040 -99.200 -91.000 HIS 61 0.900 14.108 30.816 16.283 -99.200 -91.000 HIS 82 0.900 -11.478 32.948 20.488 -99.200 -91.000 PHE 101 1.000 2.267 22.561 15.409 -99.200 -91.000 PHE 103 1.000 -3.178 21.672 18.129 -99.200 -91.000 TYR 110 0.840 1.811 23.341 36.615 -99.200 -91.000 PHE 114 1.000 -7.234 26.030 32.977 -99.200 -91.000 PHE 117 1.000 -2.299 32.950 29.671 -99.200 -91.000 TRP 131 1.040 -10.973 26.395 23.754 -99.200 -91.000 TRP6 131 1.020 -13.157 27.175 24.193 -99.200 -91.000 TYR 132 0.840 -10.197 17.437 18.029 -99.200 -91.000 PHE 139 1.000 -6.958 22.540 12.813 -99.200 -91.000 TYR 143 0.840 -15.879 29.695 5.247 -99.200 -91.000 HIS 150 0.900 -19.008 24.357 27.066 -99.200 -91.000 PHE 153 1.000 -16.264 31.373 17.373 -99.200 -91.000 TYR 163 0.840 1.652 21.366 3.011 -99.200 -91.000 TYR 171 0.840 0.998 12.910 17.549 -99.200 -91.000 TRP 182 1.040 -12.445 14.320 24.108 -99.200 -91.000 TRP6 182 1.020 -10.651 15.290 22.866 -99.200 -91.000 TRP 194 1.040 7.703 11.580 31.995 -99.200 -91.000 TRP6 194 1.020 8.388 11.872 34.252 -99.200 -91.000 HIS 199 0.900 -0.793 -4.546 35.021 -99.200 -91.000 TYR 208 0.840 -6.693 5.244 21.439 -99.200 -91.000 HIS 215 0.900 -16.155 5.885 18.330 -99.200 -91.000 TYR 217 0.840 -11.373 6.503 14.577 -99.200 -91.000 HIS 224 0.900 -2.132 5.156 20.472 -99.200 -91.000 TYR 228 0.840 10.351 5.374 27.413 -99.200 -91.000 HIS 234 0.900 29.143 2.955 27.641 -99.200 -91.000 PHE 246 1.000 14.852 16.913 35.537 -99.200 -91.000 HIS 249 0.900 17.433 19.611 42.496 -99.200 -91.000 TRP 250 1.040 10.727 19.523 35.792 -99.200 -91.000 TRP6 250 1.020 9.359 18.074 34.486 -99.200 -91.000 TYR 251 0.840 6.772 16.200 44.018 -99.200 -91.000 TYR 254 0.840 3.073 19.022 40.540 -99.200 -91.000 PHE 261 1.000 -1.102 33.361 40.281 -99.200 -91.000 TYR 270 0.840 -15.411 43.223 30.165 -99.200 -91.000 PHE 272 1.000 -11.411 41.241 28.288 -99.200 -91.000 TRP 277 1.040 -15.705 32.539 33.852 -99.200 -91.000 TRP6 277 1.020 -13.618 32.350 35.007 -99.200 -91.000 PHE 280 1.000 -22.728 24.601 42.100 -99.200 -91.000 TYR 288 0.840 12.555 5.363 45.551 -99.200 -91.000 TYR 290 0.840 15.951 5.764 40.066 -99.200 -91.000 PHE 321 1.000 18.095 11.923 25.208 -99.200 -91.000 PHE 337 1.000 17.576 6.873 22.952 -99.200 -91.000 TYR 344 0.840 22.379 -2.251 19.027 -99.200 -91.000