============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 69.897 -38.490 0.343 -99.200 -91.000 TRP6 14 1.020 68.264 -38.897 -1.325 -99.200 -91.000 PHE 19 1.000 86.751 -40.528 5.588 -99.200 -91.000 TRP 37 1.040 75.426 -23.859 0.445 -99.200 -91.000 TRP6 37 1.020 76.393 -22.780 2.311 -99.200 -91.000 HIS 43 0.900 77.264 -34.782 17.809 -99.200 -91.000 TYR 47 0.840 80.393 -32.799 23.349 -99.200 -91.000 TRP 49 1.040 83.348 -36.266 24.448 -99.200 -91.000 TRP6 49 1.020 81.987 -37.457 22.922 -99.200 -91.000 PHE 53 1.000 87.734 -32.368 14.378 -99.200 -91.000 HIS 65 0.900 77.458 -50.150 -1.672 -99.200 -91.000 TYR 70 0.840 89.108 -44.399 -5.392 -99.200 -91.000 TYR 84 0.840 78.864 -20.263 6.783 -99.200 -91.000 HIS 86 0.900 71.147 -21.992 15.638 -99.200 -91.000 TYR 89 0.840 76.623 -27.533 19.377 -99.200 -91.000 TRP 91 1.040 79.358 -25.852 23.394 -99.200 -91.000 TRP6 91 1.020 80.680 -25.904 25.351 -99.200 -91.000 PHE 110 1.000 73.711 -32.019 -7.913 -99.200 -91.000 TYR 113 0.840 76.907 -44.586 -9.286 -99.200 -91.000 HIS 115 0.900 69.518 -35.808 -7.686 -99.200 -91.000 TYR 132 0.840 52.450 -40.528 9.289 -99.200 -91.000 TRP 139 1.040 79.799 -46.177 5.256 -99.200 -91.000 TRP6 139 1.020 79.175 -44.308 3.950 -99.200 -91.000 TRP 146 1.040 79.624 -48.952 26.333 -99.200 -91.000 TRP6 146 1.020 79.694 -46.647 26.854 -99.200 -91.000 PHE 179 1.000 62.844 -36.224 14.109 -99.200 -91.000 TYR 183 0.840 60.485 -50.576 14.662 -99.200 -91.000 PHE 202 1.000 63.704 -40.080 10.863 -99.200 -91.000 PHE 208 1.000 50.707 -36.151 0.981 -99.200 -91.000 TRP 212 1.040 63.573 -40.919 -1.358 -99.200 -91.000 TRP6 212 1.020 63.260 -42.419 0.436 -99.200 -91.000 TYR 213 0.840 60.205 -33.246 0.590 -99.200 -91.000 TRP 220 1.040 70.532 -35.853 21.750 -99.200 -91.000 TRP6 220 1.020 69.396 -36.762 23.615 -99.200 -91.000 TYR 230 0.840 61.650 -44.738 22.414 -99.200 -91.000 PHE 232 1.000 65.632 -37.819 22.332 -99.200 -91.000 TYR 233 0.840 67.155 -39.702 14.463 -99.200 -91.000 HIS 235 0.900 61.207 -30.467 13.855 -99.200 -91.000 PHE 237 1.000 58.821 -26.665 8.572 -99.200 -91.000 TRP 242 1.040 71.454 -20.933 11.394 -99.200 -91.000 TRP6 242 1.020 72.660 -22.883 10.811 -99.200 -91.000 PHE 250 1.000 77.420 -15.777 5.673 -99.200 -91.000