============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 8 0.840 35.439 26.450 23.760 -99.200 -91.000 HIS 11 0.900 42.770 33.087 21.796 -99.200 -91.000 PHE 25 1.000 39.591 35.618 41.205 -99.200 -91.000 PHE 30 1.000 33.002 27.339 29.137 -99.200 -91.000 TYR 39 0.840 42.891 23.560 28.542 -99.200 -91.000 TYR 42 0.840 49.809 15.651 28.931 -99.200 -91.000 PHE 43 1.000 51.513 22.756 29.844 -99.200 -91.000 TYR 48 0.840 35.208 23.009 40.463 -99.200 -91.000 PHE 49 1.000 38.005 20.216 30.143 -99.200 -91.000 TYR 54 0.840 26.957 29.274 27.938 -99.200 -91.000 PHE 72 1.000 32.938 32.551 25.219 -99.200 -91.000 HIS 75 0.900 36.353 26.893 19.275 -99.200 -91.000 TYR 88 0.840 31.820 38.638 27.276 -99.200 -91.000 PHE 89 1.000 37.508 41.328 32.675 -99.200 -91.000 TRP 97 1.040 29.752 48.507 17.939 -99.200 -91.000 TRP6 97 1.020 29.726 50.453 16.589 -99.200 -91.000 TRP 107 1.040 36.196 51.091 18.106 -99.200 -91.000 TRP6 107 1.020 36.166 48.884 18.959 -99.200 -91.000 TYR 119 0.840 42.071 53.347 -3.771 -99.200 -91.000 HIS 134 0.900 35.439 39.486 -1.071 -99.200 -91.000 TYR 138 0.840 43.267 38.380 -0.086 -99.200 -91.000 PHE 139 1.000 44.096 40.609 -8.760 -99.200 -91.000 PHE 147 1.000 40.470 46.011 -10.730 -99.200 -91.000 TRP 148 1.040 39.271 48.258 -15.210 -99.200 -91.000 TRP6 148 1.020 37.324 47.142 -14.455 -99.200 -91.000 PHE 154 1.000 46.053 37.454 -12.254 -99.200 -91.000 TYR 171 0.840 51.443 45.930 -0.984 -99.200 -91.000 TYR 178 0.840 50.039 40.601 14.578 -99.200 -91.000 HIS 180 0.900 50.283 40.929 22.621 -99.200 -91.000 TYR 181 0.840 47.134 48.748 22.600 -99.200 -91.000 PHE 182 1.000 43.342 44.525 31.908 -99.200 -91.000 TYR 183 0.840 40.373 52.039 30.121 -99.200 -91.000 TYR 199 0.840 56.597 30.508 12.904 -99.200 -91.000 PHE 217 1.000 55.826 23.633 -7.855 -99.200 -91.000 TYR 223 0.840 48.371 35.846 4.263 -99.200 -91.000 TRP 260 1.040 35.242 46.181 31.025 -99.200 -91.000 TRP6 260 1.020 33.135 47.023 30.330 -99.200 -91.000 PHE 263 1.000 42.561 47.900 23.625 -99.200 -91.000 PHE 269 1.000 55.127 50.589 14.118 -99.200 -91.000 PHE 275 1.000 50.144 49.592 14.850 -99.200 -91.000 PHE 278 1.000 47.343 45.329 7.256 -99.200 -91.000 PHE 291 1.000 55.188 38.425 25.702 -99.200 -91.000 TYR 297 0.840 57.107 46.697 25.752 -99.200 -91.000 TRP 299 1.040 59.066 40.617 34.321 -99.200 -91.000 TRP6 299 1.020 59.218 40.199 36.651 -99.200 -91.000 TYR 302 0.840 52.034 45.312 36.803 -99.200 -91.000