============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. TYR 20 0.840 38.148 -2.959 -48.501 -99.200 -91.000 PHE 31 1.000 38.030 -5.869 -33.212 -99.200 -91.000 HIS 33 0.900 35.945 -11.638 -31.096 -99.200 -91.000 HIS 35 0.900 35.974 -20.200 -33.734 -99.200 -91.000 PHE 39 1.000 34.021 -21.256 -29.380 -99.200 -91.000 PHE 60 1.000 27.063 -8.818 -36.243 -99.200 -91.000 PHE 64 1.000 31.823 -11.552 -39.152 -99.200 -91.000 TRP 66 1.040 35.030 -17.757 -39.959 -99.200 -91.000 TRP6 66 1.020 33.286 -17.763 -38.363 -99.200 -91.000 PHE 91 1.000 35.295 -23.059 -41.241 -99.200 -91.000 TYR 94 0.840 28.024 -20.606 -37.312 -99.200 -91.000 HIS 110 0.900 45.268 -22.526 -33.994 -99.200 -91.000 PHE 114 1.000 47.673 -34.299 -40.331 -99.200 -91.000 PHE 120 1.000 46.030 -26.198 -31.143 -99.200 -91.000 TYR 121 0.840 48.855 -24.786 -27.744 -99.200 -91.000 HIS 137 0.900 52.142 -40.420 -39.846 -99.200 -91.000 HIS 138 0.900 52.565 -35.270 -49.017 -99.200 -91.000 TYR 144 0.840 43.487 -30.552 -41.246 -99.200 -91.000 PHE 167 1.000 44.489 -22.274 -45.644 -99.200 -91.000 TRP 170 1.040 51.238 -25.007 -43.255 -99.200 -91.000 TRP6 170 1.020 50.544 -26.920 -42.034 -99.200 -91.000 HIS 171 0.900 48.749 -19.952 -36.505 -99.200 -91.000 TRP 177 1.040 53.585 -20.896 -30.252 -99.200 -91.000 TRP6 177 1.020 55.375 -19.353 -29.972 -99.200 -91.000 PHE 178 1.000 50.607 -22.876 -32.807 -99.200 -91.000 TRP 179 1.040 51.598 -30.458 -35.501 -99.200 -91.000 TRP6 179 1.020 51.842 -30.506 -37.863 -99.200 -91.000 TRP 180 1.040 52.565 -24.709 -37.641 -99.200 -91.000 TRP6 180 1.020 50.618 -25.657 -36.676 -99.200 -91.000 TYR 184 0.840 59.088 -28.674 -32.700 -99.200 -91.000 TYR 190 0.840 56.753 -22.233 -42.456 -99.200 -91.000 TYR 194 0.840 52.456 -20.330 -46.782 -99.200 -91.000 PHE 196 1.000 51.514 -30.919 -50.787 -99.200 -91.000 TYR 200 0.840 46.240 -31.622 -52.496 -99.200 -91.000 PHE 210 1.000 41.334 -21.152 -49.369 -99.200 -91.000 TYR 212 0.840 46.769 -19.620 -51.027 -99.200 -91.000 TRP 214 1.040 55.198 -16.774 -43.936 -99.200 -91.000 TRP6 214 1.020 56.597 -14.873 -43.767 -99.200 -91.000 PHE 220 1.000 59.451 -11.898 -36.530 -99.200 -91.000 TYR 227 0.840 58.031 -10.602 -41.414 -99.200 -91.000 TYR 231 0.840 58.305 -13.815 -48.639 -99.200 -91.000 PHE 236 1.000 55.532 -20.794 -53.823 -99.200 -91.000 TYR 245 0.840 47.782 -12.699 -29.017 -99.200 -91.000 PHE 253 1.000 53.263 -4.421 -27.091 -99.200 -91.000 PHE 277 1.000 49.181 -6.158 -34.415 -99.200 -91.000 PHE 280 1.000 44.231 -6.250 -31.822 -99.200 -91.000 TRP 296 1.040 47.610 -3.788 -24.257 -99.200 -91.000 TRP6 296 1.020 46.907 -4.767 -26.297 -99.200 -91.000 PHE 297 1.000 41.537 -4.057 -26.311 -99.200 -91.000 TYR 315 0.840 43.689 -8.907 -41.994 -99.200 -91.000 TRP 319 1.040 42.674 -16.925 -30.499 -99.200 -91.000 TRP6 319 1.020 43.125 -17.046 -32.830 -99.200 -91.000 HIS 327 0.900 36.576 -12.551 -21.349 -99.200 -91.000 PHE 328 1.000 42.778 -13.684 -26.217 -99.200 -91.000 PHE 340 1.000 36.687 -3.997 -28.420 -99.200 -91.000 TYR 343 0.840 40.686 -1.057 -31.375 -99.200 -91.000 PHE 348 1.000 44.050 4.014 -38.937 -99.200 -91.000 PHE 351 1.000 34.639 -2.216 -34.777 -99.200 -91.000 PHE 359 1.000 34.000 -9.185 -50.215 -99.200 -91.000 HIS 373 0.900 58.533 -25.410 -54.794 -99.200 -91.000 TYR 418 0.840 53.646 -33.062 -65.067 -99.200 -91.000 TRP 423 1.040 56.041 -32.320 -56.291 -99.200 -91.000 TRP6 423 1.020 54.831 -33.747 -54.843 -99.200 -91.000 TRP 424 1.040 58.532 -31.579 -64.592 -99.200 -91.000 TRP6 424 1.020 59.106 -32.390 -66.746 -99.200 -91.000 TRP 428 1.040 70.426 -38.603 -55.040 -99.200 -91.000 TRP6 428 1.020 70.306 -37.181 -53.162 -99.200 -91.000 TYR 431 0.840 74.983 -36.062 -50.721 -99.200 -91.000