============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 7 0.840 4.435 -46.947 -45.202 -99.200 -91.000 HIS 10 0.900 3.343 -43.356 -38.621 -99.200 -91.000 PHE 20 1.000 -8.202 -49.161 -38.295 -99.200 -91.000 HIS 21 0.900 -11.898 -50.165 -40.937 -99.200 -91.000 TRP 23 1.040 -6.884 -44.870 -44.602 -99.200 -91.000 TRP6 23 1.020 -5.976 -43.301 -46.093 -99.200 -91.000 HIS 28 0.900 3.891 -54.016 -32.422 -99.200 -91.000 TYR 29 0.840 4.849 -46.315 -33.994 -99.200 -91.000 HIS 36 0.900 -3.308 -48.879 -21.945 -99.200 -91.000 HIS 37 0.900 4.083 -47.387 -17.963 -99.200 -91.000 PHE 46 1.000 -2.422 -43.159 -29.653 -99.200 -91.000 HIS 50 0.900 -4.650 -41.746 -43.770 -99.200 -91.000 PHE 64 1.000 -26.336 -29.984 -42.324 -99.200 -91.000 TYR 67 0.840 -33.348 -32.346 -40.354 -99.200 -91.000 TYR 84 0.840 -19.119 -39.105 -28.448 -99.200 -91.000 TYR 101 0.840 -13.086 -29.948 -32.888 -99.200 -91.000 TYR 102 0.840 -19.663 -21.048 -32.147 -99.200 -91.000 PHE 103 1.000 -13.439 -24.029 -35.658 -99.200 -91.000 PHE 107 1.000 -14.426 -22.766 -40.014 -99.200 -91.000 PHE 108 1.000 -21.386 -24.427 -35.924 -99.200 -91.000 TRP 123 1.040 -26.890 -38.704 -42.811 -99.200 -91.000 TRP6 123 1.020 -28.785 -40.023 -43.450 -99.200 -91.000 HIS 127 0.900 -29.766 -36.255 -44.821 -99.200 -91.000 PHE 131 1.000 -30.953 -27.314 -43.262 -99.200 -91.000 PHE 159 1.000 1.261 -25.897 -29.194 -99.200 -91.000 PHE 173 1.000 -14.772 -33.406 -26.055 -99.200 -91.000 PHE 174 1.000 -13.717 -24.147 -25.052 -99.200 -91.000 PHE 182 1.000 -9.034 -27.760 -34.924 -99.200 -91.000 TYR 188 0.840 -11.504 -43.533 -29.641 -99.200 -91.000 TYR 194 0.840 -2.627 -28.983 -26.369 -99.200 -91.000 PHE 206 1.000 3.695 -30.119 -34.616 -99.200 -91.000 TRP 207 1.040 5.693 -39.256 -35.888 -99.200 -91.000 TRP6 207 1.020 3.586 -39.974 -35.129 -99.200 -91.000 TYR 235 0.840 -20.647 -46.576 -36.842 -99.200 -91.000 TRP 252 1.040 -22.946 -39.928 -22.588 -99.200 -91.000 TRP6 252 1.020 -21.486 -38.203 -23.269 -99.200 -91.000 TRP 256 1.040 -33.675 -37.125 -24.761 -99.200 -91.000 TRP6 256 1.020 -34.741 -38.335 -26.505 -99.200 -91.000 PHE 263 1.000 -32.502 -35.534 -32.079 -99.200 -91.000 HIS 275 0.900 -42.413 -49.094 -27.855 -99.200 -91.000 PHE 299 1.000 -29.056 -61.707 -17.617 -99.200 -91.000 HIS 307 0.900 -33.677 -63.365 -19.401 -99.200 -91.000 PHE 316 1.000 -3.942 -58.183 -19.668 -99.200 -91.000 TYR 322 0.840 -8.633 -56.454 -13.602 -99.200 -91.000 PHE 355 1.000 -14.167 -51.418 -18.139 -99.200 -91.000