============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 37.521 21.808 28.254 -99.200 -91.000 PHE 14 1.000 52.892 43.170 24.384 -99.200 -91.000 PHE 39 1.000 52.290 35.194 31.075 -99.200 -91.000 TYR 40 0.840 54.362 27.628 32.740 -99.200 -91.000 TYR 44 0.840 41.324 24.557 26.554 -99.200 -91.000 PHE 51 1.000 33.062 30.155 39.415 -99.200 -91.000 PHE 54 1.000 36.114 29.277 43.525 -99.200 -91.000 TYR 60 0.840 33.391 33.248 45.668 -99.200 -91.000 PHE 67 1.000 26.296 43.061 44.548 -99.200 -91.000 PHE 71 1.000 23.577 45.348 34.442 -99.200 -91.000 PHE 73 1.000 21.660 40.635 23.296 -99.200 -91.000 TRP 82 1.040 22.934 46.087 24.034 -99.200 -91.000 TRP6 82 1.020 23.078 48.053 22.738 -99.200 -91.000 TRP 83 1.040 24.635 44.942 28.084 -99.200 -91.000 TRP6 83 1.020 25.137 42.660 28.411 -99.200 -91.000 TRP 91 1.040 28.113 29.965 39.501 -99.200 -91.000 TRP6 91 1.020 28.659 27.721 38.975 -99.200 -91.000 HIS 93 0.900 19.940 28.772 38.101 -99.200 -91.000 HIS 103 0.900 21.737 24.035 28.048 -99.200 -91.000 HIS 107 0.900 28.622 26.423 25.605 -99.200 -91.000 HIS 111 0.900 25.143 36.275 34.373 -99.200 -91.000 TRP 114 1.040 39.451 42.238 38.947 -99.200 -91.000 TRP6 114 1.020 40.424 42.450 41.074 -99.200 -91.000 TYR 120 0.840 38.758 28.744 38.763 -99.200 -91.000 TRP 123 1.040 39.960 26.184 45.134 -99.200 -91.000 TRP6 123 1.020 39.610 25.020 43.111 -99.200 -91.000 TRP 134 1.040 43.535 38.738 28.093 -99.200 -91.000 TRP6 134 1.020 43.018 39.624 25.971 -99.200 -91.000 TYR 136 0.840 54.402 38.339 24.904 -99.200 -91.000 HIS 143 0.900 55.352 44.750 15.480 -99.200 -91.000 PHE 147 1.000 40.658 40.870 13.617 -99.200 -91.000 TRP 149 1.040 42.492 35.665 12.880 -99.200 -91.000 TRP6 149 1.020 41.058 35.694 14.744 -99.200 -91.000 HIS 159 0.900 32.549 32.949 10.737 -99.200 -91.000 TYR 160 0.840 41.468 31.098 11.997 -99.200 -91.000 TRP 164 1.040 25.187 40.266 16.094 -99.200 -91.000 TRP6 164 1.020 23.785 39.941 17.961 -99.200 -91.000 PHE 168 1.000 24.476 44.406 19.618 -99.200 -91.000 PHE 178 1.000 29.684 27.322 18.713 -99.200 -91.000 PHE 187 1.000 34.637 29.557 16.685 -99.200 -91.000 TYR 192 0.840 52.592 33.598 22.243 -99.200 -91.000 TYR 195 0.840 42.281 25.808 21.728 -99.200 -91.000 TRP 202 1.040 33.391 41.842 26.812 -99.200 -91.000 TRP6 202 1.020 35.018 43.446 26.179 -99.200 -91.000 TRP 204 1.040 36.111 40.063 35.398 -99.200 -91.000 TRP6 204 1.020 35.646 42.366 35.720 -99.200 -91.000 TRP 208 1.040 43.227 49.630 40.700 -99.200 -91.000 TRP6 208 1.020 40.963 49.407 41.333 -99.200 -91.000 TRP 209 1.040 39.425 52.616 32.118 -99.200 -91.000 TRP6 209 1.020 39.414 51.542 30.021 -99.200 -91.000 HIS 212 0.900 44.926 60.405 30.503 -99.200 -91.000 HIS 213 0.900 47.203 53.306 28.419 -99.200 -91.000 TYR 237 0.840 27.255 35.916 23.941 -99.200 -91.000 HIS 240 0.900 28.595 43.378 12.881 -99.200 -91.000 TYR 243 0.840 27.863 48.430 20.541 -99.200 -91.000 TYR 245 0.840 37.381 46.741 14.406 -99.200 -91.000 TYR 247 0.840 35.606 41.895 15.976 -99.200 -91.000 PHE 266 1.000 37.581 33.470 36.024 -99.200 -91.000