============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 1 0.900 -29.781 29.264 -20.622 -99.200 -91.000 PHE 5 1.000 -18.369 36.065 -15.628 -99.200 -91.000 TRP 22 1.040 -25.913 21.304 4.320 -99.200 -91.000 TRP6 22 1.020 -27.684 22.595 5.179 -99.200 -91.000 TYR 41 0.840 -25.890 25.579 -12.341 -99.200 -91.000 HIS 43 0.900 -20.351 30.633 -7.214 -99.200 -91.000 TYR 48 0.840 -12.785 18.932 6.545 -99.200 -91.000 TYR 50 0.840 -21.737 22.202 2.612 -99.200 -91.000 HIS 54 0.900 -15.493 11.811 -1.503 -99.200 -91.000 PHE 75 1.000 -15.248 32.596 -8.169 -99.200 -91.000 TRP 81 1.040 -16.963 22.212 11.038 -99.200 -91.000 TRP6 81 1.020 -19.184 22.926 10.632 -99.200 -91.000 PHE 84 1.000 -11.260 20.643 10.788 -99.200 -91.000 PHE 85 1.000 -12.588 29.183 13.019 -99.200 -91.000 PHE 94 1.000 -6.144 25.171 0.713 -99.200 -91.000 TYR 105 0.840 -6.948 28.108 -9.469 -99.200 -91.000 TYR 109 0.840 -10.302 27.374 2.912 -99.200 -91.000 HIS 112 0.900 -19.355 26.094 6.404 -99.200 -91.000 TRP 113 1.040 -21.435 28.098 10.185 -99.200 -91.000 TRP6 113 1.020 -23.440 29.272 10.542 -99.200 -91.000 PHE 117 1.000 -19.086 24.517 16.344 -99.200 -91.000 PHE 124 1.000 -21.955 19.467 13.024 -99.200 -91.000 PHE 139 1.000 -13.895 36.523 13.306 -99.200 -91.000 TRP 143 1.040 -8.305 37.091 7.246 -99.200 -91.000 TRP6 143 1.020 -10.174 36.624 5.919 -99.200 -91.000 PHE 163 1.000 -16.838 36.409 9.701 -99.200 -91.000 HIS 165 0.900 -22.602 46.341 11.847 -99.200 -91.000 PHE 166 1.000 -21.997 45.542 15.899 -99.200 -91.000 TYR 179 0.840 -3.534 38.345 0.769 -99.200 -91.000 HIS 189 0.900 -34.831 33.401 3.082 -99.200 -91.000 TYR 191 0.840 -41.023 33.776 3.279 -99.200 -91.000 TYR 200 0.840 -20.286 46.626 7.180 -99.200 -91.000 HIS 202 0.900 -23.798 45.025 -2.439 -99.200 -91.000 TYR 211 0.840 -26.470 30.419 4.465 -99.200 -91.000 TRP 221 1.040 -33.043 23.090 10.723 -99.200 -91.000 TRP6 221 1.020 -30.871 22.353 10.221 -99.200 -91.000 HIS 242 0.900 -41.915 37.879 -14.992 -99.200 -91.000 PHE 253 1.000 -35.205 39.311 -3.409 -99.200 -91.000 HIS 254 0.900 -31.160 36.203 -3.322 -99.200 -91.000 PHE 278 1.000 -28.093 34.576 -15.535 -99.200 -91.000 PHE 280 1.000 -37.291 35.463 -14.741 -99.200 -91.000 PHE 293 1.000 -43.859 38.853 -0.868 -99.200 -91.000 TRP 297 1.040 -38.247 31.357 9.226 -99.200 -91.000 TRP6 297 1.020 -37.569 30.037 7.398 -99.200 -91.000 HIS 307 0.900 -23.160 27.554 23.793 -99.200 -91.000 TYR 311 0.840 -26.021 32.821 17.468 -99.200 -91.000 PHE 313 1.000 -26.831 33.967 12.095 -99.200 -91.000 TYR 317 0.840 -26.230 46.628 10.285 -99.200 -91.000