============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. TRP 2 1.040 11.004 8.358 -18.705 -99.200 -91.000 TRP6 2 1.020 12.388 6.514 -18.212 -99.200 -91.000 HIS 4 0.900 7.783 12.115 -28.004 -99.200 -91.000 PHE 11 1.000 8.568 -5.747 -31.656 -99.200 -91.000 PHE 13 1.000 12.470 -11.798 -30.814 -99.200 -91.000 HIS 20 0.900 10.210 -13.229 -42.084 -99.200 -91.000 TRP 21 1.040 13.654 -15.329 -38.848 -99.200 -91.000 TRP6 21 1.020 14.686 -14.900 -40.916 -99.200 -91.000 TRP 37 1.040 23.268 -28.552 -31.799 -99.200 -91.000 TRP6 37 1.020 24.807 -28.374 -33.604 -99.200 -91.000 TRP 38 1.040 20.296 -28.115 -23.799 -99.200 -91.000 TRP6 38 1.020 20.050 -30.406 -23.281 -99.200 -91.000 TRP 48 1.040 12.642 -27.284 -30.174 -99.200 -91.000 TRP6 48 1.020 14.154 -28.002 -28.495 -99.200 -91.000 PHE 50 1.000 14.771 -19.735 -36.746 -99.200 -91.000 TRP 86 1.040 15.394 -19.101 -19.143 -99.200 -91.000 TRP6 86 1.020 15.721 -17.490 -20.816 -99.200 -91.000 TRP 87 1.040 16.926 -19.970 -25.181 -99.200 -91.000 TRP6 87 1.020 18.260 -20.961 -23.489 -99.200 -91.000 PHE 100 1.000 10.613 -12.359 -20.499 -99.200 -91.000 TYR 114 0.840 14.700 -8.401 -1.894 -99.200 -91.000 TRP 158 1.040 6.565 -28.091 -7.150 -99.200 -91.000 TRP6 158 1.020 7.727 -26.181 -7.899 -99.200 -91.000 PHE 161 1.000 7.000 -26.342 -20.048 -99.200 -91.000 HIS 172 0.900 -0.984 -18.374 -27.353 -99.200 -91.000 HIS 173 0.900 -6.119 -18.707 -31.683 -99.200 -91.000 TYR 186 0.840 15.710 -9.957 -17.429 -99.200 -91.000 PHE 187 1.000 13.791 -8.906 -8.240 -99.200 -91.000 HIS 200 0.900 14.506 -3.639 -20.230 -99.200 -91.000 TYR 202 0.840 5.019 -7.764 -24.541 -99.200 -91.000 TRP 215 1.040 25.853 -6.457 -31.070 -99.200 -91.000 TRP6 215 1.020 27.844 -6.635 -29.786 -99.200 -91.000 TRP 225 1.040 27.983 -21.610 -26.107 -99.200 -91.000 TRP6 225 1.020 29.981 -22.779 -25.595 -99.200 -91.000 TRP 232 1.040 23.708 -13.531 -15.147 -99.200 -91.000 TRP6 232 1.020 25.837 -14.249 -15.915 -99.200 -91.000 TRP 244 1.040 16.282 -17.935 -32.047 -99.200 -91.000 TRP6 244 1.020 15.080 -18.597 -30.115 -99.200 -91.000 PHE 251 1.000 26.391 -25.552 -29.107 -99.200 -91.000 HIS 253 0.900 28.072 -27.934 -22.762 -99.200 -91.000 PHE 258 1.000 30.772 -20.160 -16.925 -99.200 -91.000 TYR 270 0.840 28.997 -29.626 -30.267 -99.200 -91.000 TYR 282 0.840 36.226 -14.021 -24.919 -99.200 -91.000 TYR 293 0.840 41.488 -29.768 -26.200 -99.200 -91.000 PHE 295 1.000 39.342 -21.569 -30.332 -99.200 -91.000 HIS 297 0.900 32.331 -22.964 -38.890 -99.200 -91.000 TRP 316 1.040 40.531 -14.472 -28.217 -99.200 -91.000 TRP6 316 1.020 40.066 -16.503 -27.125 -99.200 -91.000 TYR 328 0.840 28.712 1.080 -20.368 -99.200 -91.000 TYR 349 0.840 39.590 4.535 -25.597 -99.200 -91.000 TYR 357 0.840 20.167 3.028 -25.854 -99.200 -91.000 PHE 390 1.000 14.681 1.197 -15.980 -99.200 -91.000 TYR 393 0.840 15.627 1.642 -11.111 -99.200 -91.000 PHE 408 1.000 22.386 13.704 -22.029 -99.200 -91.000 TRP 409 1.040 19.