============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 8 0.900 41.235 3.729 57.621 -99.200 -91.000 PHE 27 1.000 38.687 -10.467 60.920 -99.200 -91.000 PHE 29 1.000 38.365 -10.340 69.684 -99.200 -91.000 TYR 55 0.840 35.661 -7.353 77.130 -99.200 -91.000 PHE 59 1.000 29.674 -9.448 70.766 -99.200 -91.000 TYR 64 0.840 26.690 -11.803 67.815 -99.200 -91.000 PHE 75 1.000 41.654 -12.138 54.185 -99.200 -91.000 TYR 96 0.840 42.728 -0.584 54.323 -99.200 -91.000 PHE 99 1.000 40.071 -8.371 56.603 -99.200 -91.000 TYR 107 0.840 45.001 0.256 62.413 -99.200 -91.000 TYR 115 0.840 45.577 3.443 75.222 -99.200 -91.000 PHE 118 1.000 39.245 4.673 74.867 -99.200 -91.000 PHE 129 1.000 28.046 1.304 63.412 -99.200 -91.000 HIS 144 0.900 33.260 12.560 84.581 -99.200 -91.000 PHE 172 1.000 55.050 -5.246 77.226 -99.200 -91.000 TYR 178 0.840 50.245 -5.139 77.461 -99.200 -91.000 HIS 182 0.900 54.213 2.661 84.135 -99.200 -91.000 PHE 185 1.000 44.472 2.962 83.224 -99.200 -91.000 HIS 199 0.900 59.364 -6.236 70.501 -99.200 -91.000 TYR 205 0.840 62.997 -15.551 86.440 -99.200 -91.000 TYR 207 0.840 64.235 -4.812 84.361 -99.200 -91.000 TYR 215 0.840 51.208 -0.914 94.523 -99.200 -91.000 PHE 217 1.000 50.021 -2.355 87.793 -99.200 -91.000 TYR 239 0.840 68.670 -13.310 91.664 -99.200 -91.000 HIS 250 0.900 50.345 -3.834 97.761 -99.200 -91.000 TYR 253 0.840 49.007 -12.698 90.167 -99.200 -91.000 TRP 259 1.040 44.652 -5.779 81.048 -99.200 -91.000 TRP6 259 1.020 45.711 -3.682 81.443 -99.200 -91.000 TYR 260 0.840 48.888 -11.403 73.345 -99.200 -91.000