============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 1 1.000 11.723 -27.734 -15.377 -99.200 -91.000 TYR 16 0.840 21.326 -40.900 -4.879 -99.200 -91.000 TYR 17 0.840 27.292 -34.785 -2.211 -99.200 -91.000 PHE 40 1.000 19.068 -25.606 4.568 -99.200 -91.000 HIS 47 0.900 32.053 -34.339 13.696 -99.200 -91.000 PHE 49 1.000 33.899 -38.432 11.748 -99.200 -91.000 HIS 51 0.900 34.996 -33.161 2.652 -99.200 -91.000 TYR 53 0.840 33.404 -24.946 10.297 -99.200 -91.000 TYR 54 0.840 24.774 -20.595 8.418 -99.200 -91.000 TYR 62 0.840 22.397 -15.983 12.328 -99.200 -91.000 TYR 70 0.840 18.420 -33.819 22.224 -99.200 -91.000 TYR 73 0.840 19.796 -39.820 14.640 -99.200 -91.000 TRP 78 1.040 19.680 -33.217 13.514 -99.200 -91.000 TRP6 78 1.020 18.859 -31.001 13.704 -99.200 -91.000 HIS 91 0.900 25.139 -26.354 -10.633 -99.200 -91.000 PHE 110 1.000 22.899 -35.223 11.122 -99.200 -91.000 PHE 111 1.000 27.458 -33.360 10.614 -99.200 -91.000 TRP 117 1.040 26.158 -36.563 3.430 -99.200 -91.000 TRP6 117 1.020 25.375 -36.200 5.628 -99.200 -91.000 TYR 125 0.840 3.780 -32.545 2.574 -99.200 -91.000 PHE 138 1.000 14.833 -24.560 0.328 -99.200 -91.000 PHE 139 1.000 9.658 -27.761 -3.046 -99.200 -91.000 HIS 147 0.900 5.499 -15.473 -9.351 -99.200 -91.000 PHE 152 1.000 10.575 -32.899 -3.736 -99.200 -91.000 HIS 173 0.900 7.744 -34.197 -19.900 -99.200 -91.000 TYR 176 0.840 8.536 -39.169 -17.657 -99.200 -91.000 TRP 181 1.040 0.932 -45.687 -14.941 -99.200 -91.000 TRP6 181 1.020 -1.430 -46.200 -15.057 -99.200 -91.000 TYR 182 0.840 1.077 -38.187 -11.442 -99.200 -91.000 TRP 189 1.040 2.283 -38.519 8.103 -99.200 -91.000 TRP6 189 1.020 2.728 -39.666 10.159 -99.200 -91.000 TYR 190 0.840 7.593 -39.652 8.735 -99.200 -91.000 TYR 191 0.840 6.962 -35.780 0.306 -99.200 -91.000 TYR 212 0.840 1.021 -56.374 1.652 -99.200 -91.000 TYR 214 0.840 1.142 -52.498 12.959 -99.200 -91.000 PHE 233 1.000 13.058 -59.276 6.558 -99.200 -91.000 PHE 249 1.000 21.735 -67.226 -1.255 -99.200 -91.000 PHE 253 1.000 21.494 -62.799 1.723 -99.200 -91.000 TRP 254 1.040 17.905 -65.386 3.821 -99.200 -91.000 TRP6 254 1.020 17.544 -64.737 1.561 -99.200 -91.000 TRP 262 1.040 26.863 -65.569 -4.997 -99.200 -91.000 TRP6 262 1.020 25.770 -63.672 -4.207 -99.200 -91.000 TRP 269 1.040 22.530 -59.854 -11.624 -99.200 -91.000 TRP6 269 1.020 22.583 -58.712 -9.543 -99.200 -91.000 PHE 272 1.000 19.546 -63.912 -5.144 -99.200 -91.000 TYR 278 0.840 -0.086 -55.324 -8.447 -99.200 -91.000 PHE 288 1.000 0.965 -46.442 -9.553 -99.200 -91.000 TYR 297 0.840 15.645 -58.382 -4.295 -99.200 -91.000 TYR 312 0.840 26.325 -58.198 -5.232 -99.200 -91.000 PHE 314 1.000 17.038 -59.628 1.421 -99.200 -91.000 PHE 333 1.000 10.345 -47.997 -10.197 -99.200 -91.000 TYR 334 0.840 11.544 -37.668 -13.319 -99.200 -91.000 PHE 337 1.000 9.207 -37.402 -3.698 -99.200 -91.000 PHE 346 1.000 6.483 -44.197 -7.028 -99.200 -91.000 HIS 352 0.900 15.633 -49.635 -15.137 -99.200 -91.000 HIS 354 0.900 17.757 -50.173 -18.819 -99.200 -91.000 PHE 357 1.000 18.621 -63.458 -19.961 -99.200 -91.000 PHE 366 1.000 -1.980 -54.412 -13.119 -99.200 -91.000 TYR 376 0.840 -2.799 -48.663 12.520 -99.200 -91.000