============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 89 rings ring int. center anis. iso. PHE 24 1.000 51.466 151.268 186.120 -99.200 -91.000 PHE 27 1.000 59.511 149.247 192.354 -99.200 -91.000 TYR 35 0.840 75.948 134.351 198.189 -99.200 -91.000 TRP 47 1.040 61.206 136.042 200.265 -99.200 -91.000 TRP6 47 1.020 60.456 135.137 198.217 -99.200 -91.000 TYR 48 0.840 67.558 141.069 199.383 -99.200 -91.000 TRP 49 1.040 61.182 145.439 197.689 -99.200 -91.000 TRP6 49 1.020 58.898 145.878 197.319 -99.200 -91.000 TYR 61 0.840 68.406 161.997 173.398 -99.200 -91.000 TYR 66 0.840 61.921 152.452 179.421 -99.200 -91.000 PHE 67 1.000 63.235 156.698 183.362 -99.200 -91.000 TYR 71 0.840 53.855 162.739 181.799 -99.200 -91.000 TYR 81 0.840 35.048 154.711 186.969 -99.200 -91.000 PHE 113 1.000 50.629 130.619 205.876 -99.200 -91.000 PHE 125 1.000 50.435 142.836 208.846 -99.200 -91.000 TYR 142 0.840 37.969 145.550 198.909 -99.200 -91.000 HIS 147 0.900 58.807 150.206 196.130 -99.200 -91.000 TYR 151 0.840 49.863 154.776 200.566 -99.200 -91.000 PHE 153 1.000 53.271 155.592 189.973 -99.200 -91.000 TYR 156 0.840 46.970 163.135 192.612 -99.200 -91.000 PHE 157 1.000 46.803 156.455 189.347 -99.200 -91.000 HIS 160 0.900 42.313 161.708 189.668 -99.200 -91.000 PHE 172 1.000 14.849 171.681 185.717 -99.200 -91.000 TYR 174 0.840 25.466 168.730 180.094 -99.200 -91.000 TYR 185 0.840 11.500 174.739 171.961 -99.200 -91.000 TYR 199 0.840 28.241 166.208 186.251 -99.200 -91.000 HIS 212 0.900 40.662 183.183 167.049 -99.200 -91.000 PHE 215 1.000 48.265 179.368 163.849 -99.200 -91.000 TRP 219 1.040 39.313 180.700 163.191 -99.200 -91.000 TRP6 219 1.020 37.028 181.052 163.698 -99.200 -91.000 TYR 227 0.840 27.226 176.450 155.547 -99.200 -91.000 PHE 267 1.000 9.245 186.804 136.403 -99.200 -91.000 PHE 280 1.000 14.956 179.130 157.831 -99.200 -91.000 PHE 297 1.000 25.652 191.023 141.390 -99.200 -91.000 TYR 302 0.840 15.179 195.212 135.903 -99.200 -91.000 TRP 310 1.040 14.533 189.496 153.229 -99.200 -91.000 TRP6 310 1.020 14.385 190.143 155.485 -99.200 -91.000 PHE 320 1.000 25.754 189.041 152.868 -99.200 -91.000 TYR 338 0.840 22.605 208.596 142.792 -99.200 -91.000 PHE 341 1.000 14.985 210.329 144.678 -99.200 -91.000 HIS 347 0.900 23.243 206.492 134.417 -99.200 -91.000 TYR 348 0.840 27.628 206.495 143.533 -99.200 -91.000 PHE 357 1.000 24.238 199.691 150.739 -99.200 -91.000 PHE 367 1.000 14.614 213.591 157.796 -99.200 -91.000 TRP 372 1.040 16.686 200.557 153.778 -99.200 -91.000 TRP6 372 1.020 18.051 199.680 152.078 -99.200 -91.000 HIS 374 0.900 23.990 207.606 159.517 -99.200 -91.000 PHE 375 1.000 18.778 198.981 161.099 -99.200 -91.000 PHE 381 1.000 26.631 189.522 163.550 -99.200 -91.000 HIS 402 0.900 8.309 189.765 165.986 -99.200 -91.000 PHE 419 1.000 5.466 209.564 145.913 -99.200 -91.000 TYR 426 0.840 15.819 200.945 132.975 -99.200 -91.000 TYR 453 0.840 12.380 181.036 168.597 -99.200 -91.000 TYR 455 0.840 22.675 184.102 165.065 -99.200 -91.000 HIS 468 0.900 32.441 189.851 161.920 -99.200 -91.000 PHE 502 1.000 17.186 167.759 173.900 -99.200 -91.000 HIS 503 0.900 22.798 164.813 166.490 -99.200 -91.000 TYR 504 0.840 24.356 173.335 166.685 -99.200 -91.000 TYR 505 0.840 24.655 171.941 175.607 -99.200 -91.000 PHE 511 1.000 35.586 170.375 167.299 -99.200 -91.000 HIS 512 0.900 34.437 174.002 173.962 -99.200 -91.000 TYR 515 0.840 41.008 173.634 170.904 -99.200 -91.000 TYR 535 0.840 70.744 166.824 173.815 -99.200 -91.000 PHE 546 1.000 46.318 169.432 169.701 -99.200 -91.000 HIS 551 0.900 38.430 161.719 164.366 -99.200 -91.000 PHE 553 1.000 41.296 170.727 161.133 -99.200 -91.000 TYR 564 0.840 58.935 173.012 163.137 -99.200 -91.000 PHE 583 1.000 57.876 165.870 184.708 -99.200 -91.000 TYR 608 0.840 95.097 154.114 186.005 -99.200 -91.000 TYR 619 0.840 74.503 142.232 193.497 -99.200 -91.000 TYR 621 0.840 83.961 139.507 200.847 -99.200 -91.000 PHE 631 1.000 87.996 158.233 193.285 -99.200 -91.000 TYR 645 0.840 86.877 168.749 171.613 -99.200 -91.000 PHE 666 1.000 74.857 143.312 185.142 -99.200 -91.000 PHE 684 1.000 88.567 150.743 182.190 -99.200 -91.000 TYR 701 0.840 86.526 141.269 188.922 -99.200 -91.000 PHE 710 1.000 89.610 127.911 190.249 -99.200 -91.000 TYR 711 0.840 86.624 125.690 197.575 -99.200 -91.000 TYR 716 0.840 96.169 130.538 200.792 -99.200 -91.000 TRP 718 1.040 92.747 138.381 199.490 -99.200 -91.000 TRP6 718 1.020 91.379 138.816 197.617 -99.200 -91.000 TYR 727 0.840 77.006 156.428 191.146 -99.200 -91.000 PHE 734 1.000 58.570 142.074 201.118 -99.200 -91.000 PHE 736 1.000 53.752 140.639 203.955 -99.200 -91.000 HIS 741 0.900 52.390 151.317 201.826 -99.200 -91.000 PHE 749 1.000 31.749 155.937 192.427 -99.200 -91.000 TYR 752 0.840 23.651 156.787 185.836 -99.200 -91.000 PHE 758 1.000 18.635 159.699 182.734 -99.200 -91.000 PHE 772 1.000 15.241 190.114 171.105 -99.200 -91.000