============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 5 0.840 30.977 35.818 27.581 -99.200 -91.000 TYR 15 0.840 21.802 27.293 40.262 -99.200 -91.000 PHE 16 1.000 19.478 26.120 35.346 -99.200 -91.000 HIS 20 0.900 23.890 13.862 33.680 -99.200 -91.000 PHE 30 1.000 19.326 28.256 21.032 -99.200 -91.000 TRP 37 1.040 21.172 29.180 8.552 -99.200 -91.000 TRP6 37 1.020 20.195 29.199 6.400 -99.200 -91.000 PHE 53 1.000 15.416 29.440 24.317 -99.200 -91.000 TYR 54 0.840 21.005 31.348 25.085 -99.200 -91.000 PHE 55 1.000 18.685 39.559 25.754 -99.200 -91.000 PHE 58 1.000 20.527 34.723 29.876 -99.200 -91.000 PHE 61 1.000 17.555 30.397 34.514 -99.200 -91.000 PHE 82 1.000 21.655 40.063 18.258 -99.200 -91.000 PHE 83 1.000 20.455 44.053 20.884 -99.200 -91.000 PHE 93 1.000 16.173 41.514 20.341 -99.200 -91.000 TYR 99 0.840 5.631 46.418 20.186 -99.200 -91.000 PHE 121 1.000 8.684 41.240 6.119 -99.200 -91.000 TYR 129 0.840 1.865 41.579 0.164 -99.200 -91.000 TYR 139 0.840 -12.722 38.555 10.595 -99.200 -91.000 PHE 140 1.000 -8.541 40.559 13.739 -99.200 -91.000 HIS 144 0.900 -13.204 52.802 14.374 -99.200 -91.000 PHE 154 1.000 5.349 44.781 14.551 -99.200 -91.000 TRP 161 1.040 16.720 50.022 13.805 -99.200 -91.000 TRP6 161 1.020 18.772 50.418 14.918 -99.200 -91.000 PHE 177 1.000 3.140 40.783 17.236 -99.200 -91.000 TYR 178 0.840 2.753 41.282 11.291 -99.200 -91.000 PHE 179 1.000 5.821 33.402 9.831 -99.200 -91.000 PHE 182 1.000 0.001 36.481 9.848 -99.200 -91.000 PHE 185 1.000 -5.716 36.585 13.816 -99.200 -91.000 PHE 206 1.000 12.640 37.377 7.785 -99.200 -91.000 PHE 207 1.000 11.963 32.595 6.907 -99.200 -91.000 PHE 217 1.000 11.776 33.051 11.946 -99.200 -91.000 TYR 223 0.840 14.871 24.791 19.374 -99.200 -91.000 HIS 236 0.900 27.019 21.569 27.013 -99.200 -91.000 PHE 250 1.000 -12.401 43.394 17.499 -99.200 -91.000