============================================================================= 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. HIS 8 0.900 -19.363 -38.633 -5.388 -99.200 -91.000 TYR 9 0.840 -20.454 -43.808 -14.046 -99.200 -91.000 TRP 15 1.040 -32.779 -41.397 -9.425 -99.200 -91.000 TRP6 15 1.020 -34.214 -41.154 -11.291 -99.200 -91.000 TYR 19 0.840 -37.808 -43.616 -14.607 -99.200 -91.000 PHE 27 1.000 -45.180 -51.883 -20.867 -99.200 -91.000 TYR 34 0.840 -42.230 -59.571 -26.270 -99.200 -91.000 PHE 35 1.000 -40.081 -50.966 -20.644 -99.200 -91.000 TYR 49 0.840 -26.238 -50.937 -20.859 -99.200 -91.000 TYR 55 0.840 -31.063 -53.035 -9.651 -99.200 -91.000 TYR 56 0.840 -30.950 -62.471 -15.111 -99.200 -91.000 PHE 63 1.000 -33.344 -56.535 -18.195 -99.200 -91.000 TYR 65 0.840 -42.728 -62.682 -21.677 -99.200 -91.000 PHE 69 1.000 -36.520 -52.092 -31.592 -99.200 -91.000 TYR 74 0.840 -17.837 -47.036 -33.966 -99.200 -91.000 HIS 81 0.900 -12.640 -53.847 -33.429 -99.200 -91.000 TYR 85 0.840 -21.080 -48.034 -30.659 -99.200 -91.000 HIS 86 0.900 -24.046 -58.226 -32.337 -99.200 -91.000 PHE 88 1.000 -20.845 -50.827 -24.360 -99.200 -91.000 TRP 90 1.040 -25.406 -59.544 -28.274 -99.200 -91.000 TRP6 90 1.020 -26.841 -61.140 -27.280 -99.200 -91.000 PHE 93 1.000 -28.475 -54.885 -20.156 -99.200 -91.000 PHE 94 1.000 -28.582 -56.559 -25.571 -99.200 -91.000 HIS 96 0.900 -22.387 -60.638 -18.455 -99.200 -91.000 HIS 100 0.900 -36.836 -65.277 -24.894 -99.200 -91.000 HIS 105 0.900 -35.023 -56.389 -32.958 -99.200 -91.000 PHE 121 1.000 -32.544 -50.331 -35.370 -99.200 -91.000 PHE 134 1.000 -33.783 -44.821 -28.386 -99.200 -91.000 HIS 143 0.900 -22.688 -37.570 -30.238 -99.200 -91.000 PHE 146 1.000 -21.959 -42.674 -33.413 -99.200 -91.000 PHE 173 1.000 -14.204 -46.444 -25.467 -99.200 -91.000 PHE 174 1.000 -12.302 -48.021 -32.559 -99.200 -91.000 HIS 207 0.900 -16.503 -36.404 -19.586 -99.200 -91.000 PHE 210 1.000 -19.914 -24.866 -23.943 -99.200 -91.000 TYR 213 0.840 -24.688 -22.816 -21.382 -99.200 -91.000 HIS 222 0.900 -28.616 -27.034 -37.662 -99.200 -91.000 TRP 224 1.040 -24.659 -26.754 -29.308 -99.200 -91.000 TRP6 224 1.020 -22.620 -27.406 -28.310 -99.200 -91.000 PHE 229 1.000 -34.173 -36.005 -27.144 -99.200 -91.000 HIS 232 0.900 -40.045 -37.002 -25.555 -99.200 -91.000 PHE 237 1.000 -32.153 -33.631 -20.528 -99.200 -91.000 TYR 254 0.840 -38.065 -25.779 -10.726 -99.200 -91.000 PHE 255 1.000 -35.162 -29.040 -13.154 -99.200 -91.000 HIS 262 0.900 -38.258 -34.662 -10.464 -99.200 -91.000 TYR 270 0.840 -43.234 -50.577 -7.004 -99.200 -91.000