============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 4 1.000 3.918 33.593 -2.205 -99.200 -91.000 PHE 14 1.000 -6.585 21.177 -2.230 -99.200 -91.000 HIS 16 0.900 -4.641 29.455 4.466 -99.200 -91.000 TYR 27 0.840 5.758 39.660 -5.275 -99.200 -91.000 PHE 32 1.000 4.434 29.063 -2.757 -99.200 -91.000 TYR 47 0.840 6.257 29.795 -8.315 -99.200 -91.000 TYR 50 0.840 14.166 26.635 0.107 -99.200 -91.000 TYR 58 0.840 14.104 31.208 17.401 -99.200 -91.000 PHE 69 1.000 13.819 32.868 0.469 -99.200 -91.000 HIS 76 0.900 0.496 28.045 8.756 -99.200 -91.000 TYR 77 0.840 -6.613 31.118 8.375 -99.200 -91.000 PHE 98 1.000 -2.393 36.294 1.213 -99.200 -91.000 HIS 105 0.900 -1.902 38.892 10.701 -99.200 -91.000 HIS 106 0.900 5.723 44.094 14.421 -99.200 -91.000 TYR 116 0.840 -14.238 40.546 5.911 -99.200 -91.000 TYR 122 0.840 -7.224 44.183 9.015 -99.200 -91.000 PHE 128 1.000 2.780 52.978 16.219 -99.200 -91.000 PHE 136 1.000 -14.312 41.199 -6.207 -99.200 -91.000 TYR 138 0.840 -5.678 46.159 -2.404 -99.200 -91.000 PHE 145 1.000 -12.791 31.172 -10.711 -99.200 -91.000 TYR 146 0.840 -9.771 38.289 -13.050 -99.200 -91.000 TYR 157 0.840 -23.647 20.977 -14.455 -99.200 -91.000 PHE 159 1.000 -30.213 24.016 -6.306 -99.200 -91.000 PHE 160 1.000 -19.625 24.663 -8.412 -99.200 -91.000 PHE 201 1.000 -25.527 11.454 -1.954 -99.200 -91.000 HIS 205 0.900 -28.848 9.746 -4.626 -99.200 -91.000 PHE 211 1.000 -18.418 18.024 -13.428 -99.200 -91.000 HIS 214 0.900 -14.053 20.986 -14.343 -99.200 -91.000 PHE 244 1.000 -22.457 34.065 -3.403 -99.200 -91.000 TYR 249 0.840 -16.714 23.073 5.747 -99.200 -91.000 TRP 259 1.040 -19.679 42.734 2.805 -99.200 -91.000 TRP6 259 1.020 -19.681 41.725 0.664 -99.200 -91.000 TYR 265 0.840 -24.814 37.617 -2.253 -99.200 -91.000 TYR 269 0.840 -24.104 32.559 10.171 -99.200 -91.000 TYR 271 0.840 -24.615 22.301 7.025 -99.200 -91.000 HIS 274 0.900 -18.146 17.969 17.836 -99.200 -91.000 HIS 275 0.900 -25.877 19.123 15.316 -99.200 -91.000 HIS 276 0.900 -25.177 19.522 10.799 -99.200 -91.000 HIS 277 0.900 -18.252 15.005 14.494 -99.200 -91.000 HIS 278 0.900 -16.216 13.227 11.240 -99.200 -91.000 HIS 279 0.900 -22.806 16.194 7.790 -99.200 -91.000