============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. PHE 3 1.000 23.716 6.737 22.257 -99.200 -91.000 PHE 8 1.000 24.403 1.598 33.574 -99.200 -91.000 TYR 10 0.840 21.549 -8.407 35.890 -99.200 -91.000 TYR 21 0.840 14.810 -5.190 40.564 -99.200 -91.000 PHE 36 1.000 21.423 -2.888 34.470 -99.200 -91.000 HIS 39 0.900 22.392 9.015 24.899 -99.200 -91.000 TRP 43 1.040 15.122 3.525 30.700 -99.200 -91.000 TRP6 43 1.020 15.524 3.041 32.960 -99.200 -91.000 PHE 51 1.000 8.872 -9.622 31.060 -99.200 -91.000 TYR 66 0.840 19.863 -22.127 19.065 -99.200 -91.000 TYR 67 0.840 12.076 -22.072 19.010 -99.200 -91.000 TYR 71 0.840 20.642 -15.706 25.125 -99.200 -91.000 TYR 81 0.840 20.805 -8.464 26.132 -99.200 -91.000 PHE 89 1.000 22.206 1.182 21.663 -99.200 -91.000 TYR 93 0.840 27.556 8.879 19.744 -99.200 -91.000 PHE 111 1.000 1.537 15.147 18.922 -99.200 -91.000 TRP 112 1.040 3.849 14.387 25.680 -99.200 -91.000 TRP6 112 1.020 3.455 15.492 27.754 -99.200 -91.000 TYR 138 0.840 5.975 0.295 40.378 -99.200 -91.000 PHE 157 1.000 18.482 -10.914 16.948 -99.200 -91.000 PHE 162 1.000 3.669 -2.621 25.271 -99.200 -91.000 HIS 164 0.900 -4.812 5.472 21.251 -99.200 -91.000 TYR 174 0.840 -0.639 11.374 17.009 -99.200 -91.000 TYR 179 0.840 8.903 -1.709 25.085 -99.200 -91.000 PHE 182 1.000 21.066 -7.016 18.899 -99.200 -91.000 PHE 186 1.000 22.480 -17.101 20.672 -99.200 -91.000 PHE 188 1.000 21.176 -14.220 12.949 -99.200 -91.000 PHE 190 1.000 27.743 -12.447 4.973 -99.200 -91.000 PHE 207 1.000 33.566 -14.300 4.182 -99.200 -91.000 HIS 217 0.900 16.996 -4.764 8.987 -99.200 -91.000 HIS 221 0.900 12.557 -2.579 10.315 -99.200 -91.000 HIS 224 0.900 12.222 3.321 8.540 -99.200 -91.000 TYR 227 0.840 11.721 11.176 13.932 -99.200 -91.000 PHE 237 1.000 9.277 -6.619 -5.506 -99.200 -91.000 TYR 244 0.840 15.842 -21.928 -5.759 -99.200 -91.000 TYR 245 0.840 12.889 -14.647 -1.417 -99.200 -91.000 PHE 254 1.000 5.736 -1.817 -1.490 -99.200 -91.000 PHE 260 1.000 20.089 -4.897 2.142 -99.200 -91.000 HIS 263 0.900 18.222 -3.937 -7.563 -99.200 -91.000 PHE 267 1.000 13.558 -5.554 -6.196 -99.200 -91.000 PHE 276 1.000 3.958 3.665 0.719 -99.200 -91.000 TYR 279 0.840 -1.000 7.576 4.969 -99.200 -91.000 TYR 280 0.840 3.860 7.467 6.278 -99.200 -91.000 TYR 281 0.840 3.048 18.190 3.147 -99.200 -91.000 PHE 284 1.000 6.290 14.193 9.952 -99.200 -91.000 TYR 306 0.840 11.161 20.592 27.132 -99.200 -91.000 PHE 311 1.000 5.852 16.246 20.916 -99.200 -91.000 TYR 315 0.840 6.541 15.169 14.696 -99.200 -91.000 PHE 325 1.000 4.918 24.955 16.989 -99.200 -91.000 PHE 332 1.000 7.134 14.873 5.203 -99.200 -91.000 TYR 336 0.840 9.071 9.893 3.748 -99.200 -91.000 TYR 343 0.840 19.327 8.358 9.876 -99.200 -91.000 PHE 348 1.000 23.917 2.545 10.354 -99.200 -91.000 PHE 351 1.000 29.040 6.286 6.859 -99.200 -91.000 PHE 352 1.000 28.709 -0.375 11.651 -99.200 -91.000 TYR 360 0.840 14.589 -8.490 4.647 -99.200 -91.000 PHE 363 1.000 15.810 -18.743 -0.050 -99.200 -91.000 PHE 368 1.000 28.510 -19.356 12.070 -99.200 -91.000 TYR 378 0.840 32.214 -6.694 17.410 -99.200 -91.000 TYR 381 0.840 37.311 2.841 18.579 -99.200 -91.000 PHE 384 1.000 32.752 -11.005 15.040 -99.200 -91.000 PHE 395 1.000 35.276 -7.187 3.793 -99.200 -91.000 PHE 407 1.000 32.667 -15.870 13.873 -99.200 -91.000 PHE 413 1.000 19.300 -21.262 10.491 -99.200 -91.000 PHE 417 1.000 15.689 -21.575 4.071 -99.200 -91.000 PHE 419 1.000 12.406 -23.027 -1.721 -99.200 -91.000