============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 2 1.000 -21.812 25.959 47.374 -99.200 -91.000 HIS 9 0.900 -25.381 20.356 56.851 -99.200 -91.000 PHE 16 1.000 -33.269 25.754 68.580 -99.200 -91.000 HIS 19 0.900 -31.306 25.846 62.645 -99.200 -91.000 PHE 66 1.000 -42.398 65.087 69.188 -99.200 -91.000 HIS 68 0.900 -35.281 64.112 76.852 -99.200 -91.000 HIS 71 0.900 -45.215 70.620 69.281 -99.200 -91.000 TYR 73 0.840 -34.261 68.745 68.552 -99.200 -91.000 HIS 74 0.900 -38.716 66.413 68.757 -99.200 -91.000 PHE 88 1.000 -29.502 58.776 49.362 -99.200 -91.000 TYR 95 0.840 -37.255 57.387 47.670 -99.200 -91.000 TYR 138 0.840 -36.076 73.828 98.297 -99.200 -91.000 TRP 148 1.040 -39.430 70.459 92.021 -99.200 -91.000 TRP6 148 1.020 -39.678 70.009 89.707 -99.200 -91.000 TYR 151 0.840 -46.998 61.236 90.308 -99.200 -91.000 TYR 165 0.840 -35.925 50.946 92.215 -99.200 -91.000 PHE 182 1.000 -42.161 66.706 104.367 -99.200 -91.000 PHE 192 1.000 -20.130 60.498 91.970 -99.200 -91.000 PHE 221 1.000 -44.783 69.314 65.465 -99.200 -91.000 PHE 231 1.000 -41.795 53.814 67.194 -99.200 -91.000 PHE 234 1.000 -43.481 55.216 80.864 -99.200 -91.000 HIS 242 0.900 -59.745 50.825 72.661 -99.200 -91.000 HIS 264 0.900 -46.899 42.786 86.906 -99.200 -91.000 PHE 270 1.000 -48.439 41.561 74.213 -99.200 -91.000 PHE 297 1.000 -35.052 35.171 80.517 -99.200 -91.000 TYR 360 0.840 -16.758 55.666 67.679 -99.200 -91.000 HIS 369 0.900 -26.994 45.693 56.342 -99.200 -91.000 PHE 380 1.000 -35.012 23.821 62.577 -99.200 -91.000 HIS 381 0.900 -35.826 31.180 57.649 -99.200 -91.000 PHE 385 1.000 -44.921 27.802 56.087 -99.200 -91.000 TYR 411 0.840 -39.804 28.530 54.041 -99.200 -91.000 HIS 429 0.900 -48.873 45.257 55.939 -99.200 -91.000 TYR 434 0.840 -48.588 32.443 57.725 -99.200 -91.000 HIS 447 0.900 -45.335 58.308 46.904 -99.200 -91.000 HIS 454 0.900 -38.610 50.850 55.542 -99.200 -91.000 TYR 456 0.840 -46.338 44.773 58.831 -99.200 -91.000 PHE 460 1.000 -35.018 46.783 49.464 -99.200 -91.000 TRP 472 1.040 -54.720 43.773 36.357 -99.200 -91.000 TRP6 472 1.020 -54.377 45.278 38.151 -99.200 -91.000 PHE 492 1.000 -32.090 43.024 47.897 -99.200 -91.000 PHE 493 1.000 -34.150 39.732 41.999 -99.200 -91.000 TRP 505 1.040 -57.115 36.250 36.538 -99.200 -91.000 TRP6 505 1.020 -55.174 35.176 35.717 -99.200 -91.000 PHE 511 1.000 -57.325 37.369 47.858 -99.200 -91.000