============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 1 1.000 77.174 96.299 39.778 -99.200 -91.000 PHE 5 1.000 78.346 97.123 28.899 -99.200 -91.000 PHE 30 1.000 76.136 75.339 38.718 -99.200 -91.000 TYR 32 0.840 75.400 71.715 26.810 -99.200 -91.000 HIS 41 0.900 76.192 80.026 27.302 -99.200 -91.000 HIS 57 0.900 70.703 66.052 29.683 -99.200 -91.000 PHE 63 1.000 68.253 66.721 38.766 -99.200 -91.000 TYR 68 0.840 76.025 78.353 43.834 -99.200 -91.000 PHE 120 1.000 66.813 74.895 14.465 -99.200 -91.000 HIS 135 0.900 55.022 84.805 38.182 -99.200 -91.000 TYR 137 0.840 58.521 87.219 35.906 -99.200 -91.000 PHE 153 1.000 68.619 86.228 40.873 -99.200 -91.000 PHE 154 1.000 60.556 90.165 47.199 -99.200 -91.000 TRP 181 1.040 71.000 99.251 36.179 -99.200 -91.000 TRP6 181 1.020 70.805 96.962 35.623 -99.200 -91.000 TYR 190 0.840 55.513 86.643 46.926 -99.200 -91.000 HIS 202 0.900 48.452 84.058 66.654 -99.200 -91.000 TYR 219 0.840 56.019 66.744 61.250 -99.200 -91.000 PHE 234 1.000 60.850 75.678 71.230 -99.200 -91.000 TYR 252 0.840 68.511 68.940 68.868 -99.200 -91.000 HIS 260 0.900 68.728 59.348 65.741 -99.200 -91.000 HIS 265 0.900 61.618 53.136 53.878 -99.200 -91.000 TYR 269 0.840 64.944 55.927 67.802 -99.200 -91.000 TYR 272 0.840 56.170 54.622 72.079 -99.200 -91.000 HIS 276 0.900 51.582 55.563 71.910 -99.200 -91.000 PHE 283 1.000 57.874 74.759 66.179 -99.200 -91.000 PHE 287 1.000 51.246 68.497 59.867 -99.200 -91.000 PHE 298 1.000 51.508 62.602 61.729 -99.200 -91.000 HIS 306 0.900 51.585 73.303 59.693 -99.200 -91.000 HIS 321 0.900 44.161 70.395 68.462 -99.200 -91.000 PHE 350 1.000 58.025 69.011 78.543 -99.200 -91.000 TRP 353 1.040 57.436 62.622 75.562 -99.200 -91.000 TRP6 353 1.020 56.212 60.791 74.706 -99.200 -91.000 PHE 364 1.000 60.627 47.838 69.057 -99.200 -91.000 PHE 368 1.000 75.093 47.626 60.241 -99.200 -91.000 PHE 371 1.000 73.247 38.637 55.866 -99.200 -91.000 TYR 379 0.840 81.364 48.643 59.124 -99.200 -91.000 HIS 401 0.900 71.231 55.688 46.510 -99.200 -91.000 TRP 404 1.040 70.030 51.350 54.035 -99.200 -91.000 TRP6 404 1.020 70.335 50.028 52.104 -99.200 -91.000 PHE 408 1.000 72.159 52.744 59.280 -99.200 -91.000 TYR 409 0.840 77.836 61.938 57.259 -99.200 -91.000 TYR 411 0.840 73.388 63.937 56.931 -99.200 -91.000 TRP 417 1.040 69.271 65.035 53.760 -99.200 -91.000 TRP6 417 1.020 70.095 62.958 52.992 -99.200 -91.000 PHE 428 1.000 69.452 66.430 44.106 -99.200 -91.000 PHE 454 1.000 78.410 57.312 38.968 -99.200 -91.000 HIS 480 0.900 69.349 43.191 41.640 -99.200 -91.000 TRP 487 1.040 58.026 49.651 48.059 -99.200 -91.000 TRP6 487 1.020 55.810 50.476 48.256 -99.200 -91.000 PHE 491 1.000 54.374 45.971 49.969 -99.200 -91.000 TYR 492 0.840 53.655 44.276 43.246 -99.200 -91.000 HIS 498 0.900 60.555 44.604 32.777 -99.200 -91.000 PHE 500 1.000 70.979 41.678 36.883 -99.200 -91.000 PHE 511 1