============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. HIS 25 0.900 19.537 82.746 48.040 -99.200 -91.000 TYR 34 0.840 6.990 71.531 63.347 -99.200 -91.000 TRP 37 1.040 14.641 68.396 61.706 -99.200 -91.000 TRP6 37 1.020 16.398 68.272 60.129 -99.200 -91.000 PHE 40 1.000 5.435 61.691 58.784 -99.200 -91.000 HIS 42 0.900 16.128 64.133 62.752 -99.200 -91.000 TRP 49 1.040 21.861 55.655 64.305 -99.200 -91.000 TRP6 49 1.020 19.550 56.093 64.448 -99.200 -91.000 PHE 50 1.000 26.029 52.599 57.988 -99.200 -91.000 PHE 55 1.000 16.388 67.520 54.510 -99.200 -91.000 HIS 61 0.900 17.119 78.414 46.598 -99.200 -91.000 TYR 66 0.840 23.153 76.502 57.477 -99.200 -91.000 HIS 70 0.900 19.910 77.164 67.893 -99.200 -91.000 TYR 74 0.840 20.840 67.240 63.960 -99.200 -91.000 PHE 83 1.000 22.580 82.385 55.902 -99.200 -91.000 TRP 86 1.040 37.313 84.105 57.388 -99.200 -91.000 TRP6 86 1.020 38.033 83.323 55.269 -99.200 -91.000 HIS 93 0.900 24.127 78.336 47.888 -99.200 -91.000 TYR 96 0.840 30.012 64.932 54.240 -99.200 -91.000 HIS 98 0.900 32.576 74.847 57.677 -99.200 -91.000 HIS 123 0.900 25.400 46.523 47.382 -99.200 -91.000 TYR 128 0.840 27.656 44.593 55.460 -99.200 -91.000 TYR 133 0.840 20.077 39.465 64.579 -99.200 -91.000 HIS 138 0.900 19.282 55.016 55.800 -99.200 -91.000 TYR 139 0.840 11.263 55.012 54.673 -99.200 -91.000 TYR 141 0.840 12.201 61.018 54.755 -99.200 -91.000 HIS 162 0.900 15.569 49.746 35.357 -99.200 -91.000 TYR 172 0.840 7.913 70.679 42.487 -99.200 -91.000 PHE 187 1.000 8.621 73.463 34.693 -99.200 -91.000 TYR 195 0.840 9.859 63.497 39.149 -99.200 -91.000 TYR 198 0.840 11.283 60.586 34.761 -99.200 -91.000 TRP 200 1.040 10.176 59.061 40.656 -99.200 -91.000 TRP6 200 1.020 11.122 60.155 42.529 -99.200 -91.000 PHE 239 1.000 1.713 82.184 54.594 -99.200 -91.000 HIS 251 0.900 15.353 82.449 44.652 -99.200 -91.000 TYR 267 0.840 5.572 84.853 59.283 -99.200 -91.000 TRP 269 1.040 8.354 86.762 65.891 -99.200 -91.000 TRP6 269 1.020 8.726 84.501 66.457 -99.200 -91.000 PHE 275 1.000 19.267 86.857 64.600 -99.200 -91.000 HIS 276 0.900 11.501 85.243 71.874 -99.200 -91.000 TYR 282 0.840 15.752 76.752 71.901 -99.200 -91.000 PHE 285 1.000 11.932 72.098 66.311 -99.200 -91.000 TRP 300 1.040 20.570 50.542 64.066 -99.200 -91.000 TRP6 300 1.020 22.892 50.974 64.186 -99.200 -91.000 TYR 306 0.840 24.472 41.850 61.780 -99.200 -91.000 TYR 310 0.840 23.621 36.052 61.384 -99.200 -91.000 TRP 328 1.040 43.732 46.352 50.117 -99.200 -91.000 TRP6 328 1.020 43.745 47.092 47.871 -99.200 -91.000 TYR 335 0.840 49.117 43.435 33.711 -99.200 -91.000 PHE 361 1.000 35.557 48.067 43.790 -99.200 -91.000 PHE 362 1.000 26.324 49.376 44.952 -99.200 -91.000 TYR 375 0.840 28.895 42.705 34.639 -99.200 -91.000 PHE 381 1.000 21.474 48.440 43.761 -99.200 -91.000 TYR 386 0.840 16.947 46.917 45.905 -99.200 -91.000 TRP 392 1.040 23.8