============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 11 0.840 -24.967 77.245 -5.642 -99.200 -91.000 HIS 17 0.900 -23.962 81.717 -16.380 -99.200 -91.000 TYR 22 0.840 -32.122 86.686 -9.255 -99.200 -91.000 TRP 23 1.040 -27.536 90.750 -11.726 -99.200 -91.000 TRP6 23 1.020 -26.321 92.735 -12.118 -99.200 -91.000 TYR 25 0.840 -29.492 96.511 -4.752 -99.200 -91.000 HIS 28 0.900 -38.420 95.172 -7.331 -99.200 -91.000 TRP 32 1.040 -45.343 101.660 -2.304 -99.200 -91.000 TRP6 32 1.020 -43.983 101.005 -0.486 -99.200 -91.000 TYR 38 0.840 -51.519 93.057 5.251 -99.200 -91.000 TYR 49 0.840 -29.714 97.783 11.454 -99.200 -91.000 PHE 53 1.000 -45.298 96.732 15.763 -99.200 -91.000 PHE 112 1.000 -40.731 89.603 6.342 -99.200 -91.000 HIS 114 0.900 -47.459 84.170 13.840 -99.200 -91.000 PHE 120 1.000 -30.272 76.427 16.313 -99.200 -91.000 TYR 124 0.840 -26.147 77.606 24.769 -99.200 -91.000 TYR 130 0.840 -32.817 63.025 15.356 -99.200 -91.000 PHE 134 1.000 -35.333 68.501 12.152 -99.200 -91.000 TYR 135 0.840 -34.772 72.499 15.030 -99.200 -91.000 TYR 137 0.840 -30.042 68.030 5.613 -99.200 -91.000 TYR 145 0.840 -34.258 78.415 -3.053 -99.200 -91.000 HIS 147 0.900 -24.470 80.354 0.573 -99.200 -91.000 HIS 153 0.900 -28.728 86.021 6.540 -99.200 -91.000 HIS 159 0.900 -32.052 88.711 16.875 -99.200 -91.000 HIS 165 0.900 -38.001 71.782 19.625 -99.200 -91.000 HIS 167 0.900 -46.823 73.431 14.874 -99.200 -91.000 TRP 175 1.040 -33.387 86.750 4.442 -99.200 -91.000 TRP6 175 1.020 -31.890 85.281 3.335 -99.200 -91.000 PHE 180 1.000 -29.462 90.357 -5.675 -99.200 -91.000 TYR 181 0.840 -19.570 85.825 -5.779 -99.200 -91.000 HIS 182 0.900 -23.434 90.965 -8.774 -99.200 -91.000 TYR 187 0.840 -19.918 91.743 -2.692 -99.200 -91.000 TYR 195 0.840 -19.611 88.261 20.182 -99.200 -91.000 PHE 196 1.000 -22.504 84.178 15.501 -99.200 -91.000 TYR 205 0.840 -9.522 88.497 -0.313 -99.200 -91.000 TYR 208 0.840 -17.397 89.671 1.950 -99.200 -91.000 TYR 210 0.840 -22.611 82.636 -3.525 -99.200 -91.000 TRP 215 1.040 -15.796 82.068 10.634 -99.200 -91.000 TRP6 215 1.020 -13.724 81.015 10.887 -99.200 -91.000 PHE 226 1.000 -16.580 72.330 21.162 -99.200 -91.000 PHE 231 1.000 -15.430 77.497 20.009 -99.200 -91.000 PHE 232 1.000 -13.828 80.690 16.959 -99.200 -91.000 HIS 233 0.900 -17.589 87.383 24.510 -99.200 -91.000 HIS 235 0.900 -13.852 90.907 25.894 -99.200 -91.000 TYR 238 0.840 -7.662 96.067 15.104 -99.200 -91.000 TYR 254 0.840 0.934 85.077 11.532 -99.200 -91.000 TYR 256 0.840 -7.639 83.816 4.621 -99.200 -91.000 TYR 260 0.840 -7.122 84.039 -0.747 -99.200 -91.000 PHE 268 1.000 -4.839 92.327 14.149 -99.200 -91.000 HIS 275 0.900 -1.758 83.080 20.342 -99.200 -91.000 TRP 280 1.040 -11.787 71.627 15.735 -99.200 -91.000 TRP6 280 1.020 -12.453 73.871 16.033 -99.200 -91.000 PHE 283 1.000 -11.749 74.818 22.302 -99.200 -91.000 HIS 285 0.900 -14.759 72.207 29.197 -99.200 -91.000 HIS 290 0.900 -25.168 66.270 26.397 -99.200 -91.000 PHE 299 1.000 -21.014 70.486 9.360 -99.200 -91.000 TYR 306 0.840 -7.020 80.994 10.761 -99.200 -91.000 HIS 308 0.900 -11.736 83.548 0.742 -99.200 -91.000 HIS 320 0.900 -19.019 65.897 7.987 -99.200 -91.000 TYR 322 0.840 -23.323 67.493 13.410 -99.200 -91.000 PHE 323 1.000 -25.662 68.200 8.901 -99.200 -91.000 TYR 324 0.840 -25.437 57.328 6.727 -99.200 -91.000