============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 2 1.000 -8.265 -10.210 18.661 -99.200 -91.000 TRP 5 1.040 -6.998 -0.256 16.181 -99.200 -91.000 TRP6 5 1.020 -7.950 1.889 16.279 -99.200 -91.000 PHE 10 1.000 -1.797 7.569 3.726 -99.200 -91.000 TYR 12 0.840 7.469 11.079 -0.147 -99.200 -91.000 TYR 23 0.840 5.528 18.599 3.878 -99.200 -91.000 PHE 39 1.000 3.060 9.990 3.225 -99.200 -91.000 TRP 46 1.040 1.092 10.216 12.728 -99.200 -91.000 TRP6 46 1.020 0.147 11.749 11.216 -99.200 -91.000 PHE 52 1.000 15.984 9.665 14.308 -99.200 -91.000 TYR 70 0.840 29.583 -12.175 8.819 -99.200 -91.000 TYR 73 0.840 24.138 -1.789 2.355 -99.200 -91.000 TYR 74 0.840 27.605 2.175 8.135 -99.200 -91.000 TYR 78 0.840 16.996 2.851 1.530 -99.200 -91.000 PHE 88 1.000 10.646 3.505 5.275 -99.200 -91.000 PHE 96 1.000 2.234 -0.869 11.325 -99.200 -91.000 TYR 111 0.840 -2.191 -4.486 24.864 -99.200 -91.000 PHE 118 1.000 -0.759 10.982 33.146 -99.200 -91.000 PHE 129 1.000 -5.011 14.573 32.423 -99.200 -91.000 PHE 131 1.000 -3.950 18.341 28.128 -99.200 -91.000 HIS 134 0.900 9.048 19.544 22.272 -99.200 -91.000 PHE 143 1.000 8.135 26.877 2.184 -99.200 -91.000 TRP 148 1.040 9.382 24.417 5.945 -99.200 -91.000 TRP6 148 1.020 7.564 22.999 5.417 -99.200 -91.000 PHE 161 1.000 11.887 10.004 11.522 -99.200 -91.000 TYR 170 0.840 14.849 -3.239 11.427 -99.200 -91.000 PHE 182 1.000 12.878 1.387 34.474 -99.200 -91.000 PHE 185 1.000 4.462 9.785 34.940 -99.200 -91.000 PHE 197 1.000 18.523 -1.887 2.345 -99.200 -91.000 PHE 201 1.000 17.240 -17.228 11.141 -99.200 -91.000 PHE 209 1.000 16.353 -21.500 6.708 -99.200 -91.000 HIS 219 0.900 13.586 -6.945 18.605 -99.200 -91.000 HIS 223 0.900 13.106 -2.998 21.808 -99.200 -91.000 HIS 226 0.900 8.729 -4.003 26.043 -99.200 -91.000 TYR 229 0.840 0.419 0.384 26.873 -99.200 -91.000 PHE 247 1.000 42.701 -20.164 35.297 -99.200 -91.000 PHE 248 1.000 41.553 -21.259 30.549 -99.200 -91.000 PHE 257 1.000 18.550 -6.770 33.298 -99.200 -91.000 TYR 261 0.840 11.665 -8.478 30.965 -99.200 -91.000 PHE 263 1.000 14.928 -14.063 20.537 -99.200 -91.000 HIS 286 0.900 7.113 4.213 38.169 -99.200 -91.000 TYR 287 0.840 1.090 0.624 34.244 -99.200 -91.000 TRP 305 1.040 -4.945 24.055 25.781 -99.200 -91.000 TRP6 305 1.020 -4.055 22.519 24.232 -99.200 -91.000 TYR 312 0.840 -5.724 13.807 26.323 -99.200 -91.000 PHE 316 1.000 -3.412 9.764 29.329 -99.200 -91.000 TYR 320 0.840 -1.335 4.118 31.989 -99.200 -91.000 PHE 322 1.000 -5.182 3.319 35.991 -99.200 -91.000 PHE 330 1.000 -10.862 6.651 36.314 -99.200 -91.000 PHE 337 1.000 0.831 -4.141 37.070 -99.200 -91.000 TYR 341 0.840 5.150 -6.306 34.076 -99.200 -91.000 TYR 353 0.840 5.565 -10.353 18.393 -99.200 -91.000 TYR 357 0.840 2.415 -12.683 12.721 -99.200 -91.000 HIS 364 0.900 19.441 -19.235 22.271 -99.200 -91.000 TYR 365 0.840 18.854 -9.167 21.092 -99.200 -91.000 PHE 366 1.000 21.990 -15.533 23.634 -99.200 -91.000 HIS 369 0.900 22.380 -11.565 13.196 -99.200 -91.000 TYR 370 0.840 25.929 -17.847 9.689 -99.200 -91.000 PHE 374 1.000 17.044 -4.571 -1.915 -99.200 -91.000 TYR 383 0.840 7.171 -10.193 2.946 -99.200 -91.000 PHE 389 1.000 11.243 -12.571 2.038 -99.200 -91.000 PHE 396 1.000 11.220 -20.190 -3.016 -99.200 -91.000