============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 51.073 -36.340 22.245 -99.200 -91.000 PHE 8 1.000 46.485 -26.772 23.131 -99.200 -91.000 HIS 19 0.900 41.389 -7.522 36.440 -99.200 -91.000 PHE 21 1.000 41.845 -11.814 31.095 -99.200 -91.000 TYR 32 0.840 44.566 -37.193 12.113 -99.200 -91.000 PHE 50 1.000 37.514 -12.604 34.009 -99.200 -91.000 TRP 52 1.040 39.280 -21.098 33.542 -99.200 -91.000 TRP6 52 1.020 41.365 -20.007 33.289 -99.200 -91.000 PHE 59 1.000 42.738 -20.100 27.782 -99.200 -91.000 TYR 63 0.840 44.526 -31.165 19.497 -99.200 -91.000 HIS 66 0.900 35.745 -32.563 11.448 -99.200 -91.000 TYR 73 0.840 37.876 -24.013 6.329 -99.200 -91.000 PHE 78 1.000 47.015 -26.187 11.523 -99.200 -91.000 PHE 82 1.000 41.988 -23.167 12.691 -99.200 -91.000 TRP 84 1.040 39.751 -19.935 17.029 -99.200 -91.000 TRP6 84 1.020 38.610 -18.939 18.860 -99.200 -91.000 PHE 90 1.000 28.784 -14.557 28.230 -99.200 -91.000 PHE 109 1.000 48.024 -28.474 15.684 -99.200 -91.000 TYR 111 0.840 45.809 -23.746 19.466 -99.200 -91.000 PHE 115 1.000 37.360 -13.208 26.617 -99.200 -91.000 PHE 120 1.000 30.542 -10.621 30.637 -99.200 -91.000 TRP 134 1.040 31.591 -23.480 29.247 -99.200 -91.000 TRP6 134 1.020 30.196 -21.710 28.457 -99.200 -91.000 TYR 142 0.840 26.255 -21.248 8.612 -99.200 -91.000 HIS 153 0.900 20.524 -21.471 20.480 -99.200 -91.000 HIS 163 0.900 21.087 -25.560 32.897 -99.200 -91.000 TYR 164 0.840 25.299 -15.984 32.485 -99.200 -91.000 PHE 168 1.000 30.478 -20.127 23.156 -99.200 -91.000 TYR 172 0.840 35.056 -22.458 13.617 -99.200 -91.000 TYR 183 0.840 22.583 -26.888 8.422 -99.200 -91.000 TYR 184 0.840 30.726 -30.234 10.133 -99.200 -91.000 TYR 185 0.840 23.509 -30.127 13.408 -99.200 -91.000 HIS 195 0.900 39.315 -24.964 40.660 -99.200 -91.000 TYR 199 0.840 38.431 -21.522 39.327 -99.200 -91.000 TYR 205 0.840 39.128 -35.219 28.065 -99.200 -91.000 HIS 212 0.900 27.018 -36.348 7.101 -99.200 -91.000 HIS 213 0.900 19.209 -34.000 12.263 -99.200 -91.000 PHE 215 1.000 15.658 -37.547 13.431 -99.200 -91.000