============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 4 1.000 29.118 -19.050 -40.902 -99.200 -91.000 PHE 33 1.000 45.585 -29.766 -21.494 -99.200 -91.000 TYR 42 0.840 52.702 -28.785 -15.573 -99.200 -91.000 TYR 53 0.840 46.932 -14.193 -34.213 -99.200 -91.000 PHE 80 1.000 37.342 -26.240 -14.256 -99.200 -91.000 PHE 81 1.000 40.677 -18.329 -16.999 -99.200 -91.000 TYR 82 0.840 47.731 -22.215 -16.759 -99.200 -91.000 PHE 83 1.000 46.560 -27.164 -15.393 -99.200 -91.000 PHE 84 1.000 36.442 -25.324 -19.707 -99.200 -91.000 HIS 86 0.900 47.333 -22.679 -21.330 -99.200 -91.000 PHE 87 1.000 40.611 -30.642 -23.824 -99.200 -91.000 PHE 89 1.000 43.702 -20.396 -25.332 -99.200 -91.000 TYR 90 0.840 46.195 -30.974 -26.646 -99.200 -91.000 TYR 98 0.840 44.716 -31.676 -40.347 -99.200 -91.000 PHE 102 1.000 38.360 -25.551 -34.267 -99.200 -91.000 PHE 106 1.000 25.953 -20.956 -22.718 -99.200 -91.000 PHE 108 1.000 29.532 -30.675 -23.750 -99.200 -91.000 TYR 109 0.840 33.013 -24.048 -23.916 -99.200 -91.000 TYR 112 0.840 32.790 -27.112 -15.316 -99.200 -91.000 PHE 124 1.000 32.451 -18.582 -29.904 -99.200 -91.000 TYR 126 0.840 44.299 -19.440 -29.670 -99.200 -91.000 TYR 128 0.840 36.902 -11.434 -34.884 -99.200 -91.000 TYR 150 0.840 19.483 -17.049 -25.076 -99.200 -91.000 PHE 153 1.000 27.066 -15.552 -24.462 -99.200 -91.000 PHE 155 1.000 24.754 -14.196 -34.211 -99.200 -91.000 TYR 157 0.840 31.165 -11.244 -23.579 -99.200 -91.000 TYR 168 0.840 6.985 -27.470 -31.155 -99.200 -91.000 TYR 179 0.840 16.680 -6.564 -39.662 -99.200 -91.000 TYR 186 0.840 20.730 -7.338 -42.820 -99.200 -91.000 TYR 187 0.840 24.270 -10.324 -36.002 -99.200 -91.000 PHE 190 1.000 24.629 -23.788 -39.967 -99.200 -91.000 PHE 203 1.000 7.337 -34.709 -29.510 -99.200 -91.000 TYR 215 0.840 12.156 -34.525 -42.835 -99.200 -91.000 TYR 228 0.840 9.939 -10.277 -42.925 -99.200 -91.000 PHE 237 1.000 24.544 -20.040 -43.876 -99.200 -91.000 PHE 240 1.000 17.047 -26.105 -44.308 -99.200 -91.000 TYR 247 0.840 22.572 -42.692 -42.966 -99.200 -91.000 TYR 252 0.840 11.677 -34.086 -49.050 -99.200 -91.000 TYR 256 0.840 11.989 -33.266 -53.240 -99.200 -91.000 PHE 257 1.000 13.609 -27.503 -48.374 -99.200 -91.000 TYR 261 0.840 25.197 -21.900 -47.184 -99.200 -91.000 HIS 275 0.900 30.948 -43.302 -49.436 -99.200 -91.000 TYR 282 0.840 29.282 -33.367 -53.792 -99.200 -91.000 HIS 283 0.900 25.751 -27.116 -53.708 -99.200 -91.000 TYR 286 0.840 34.428 -28.908 -50.708 -99.200 -91.000 TYR 302 0.840 47.300 -41.512 -29.426 -99.200 -91.000 TYR 310 0.840 36.404 -38.396 -38.126 -99.200 -91.000 TYR 311 0.840 42.121 -31.683 -44.834 -99.200 -91.000