============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 11 1.000 1.493 -47.818 62.264 -99.200 -91.000 TRP 15 1.040 6.141 -42.534 65.839 -99.200 -91.000 TRP6 15 1.020 7.021 -44.359 67.048 -99.200 -91.000 TYR 25 0.840 4.305 -28.097 67.259 -99.200 -91.000 HIS 42 0.900 -2.111 -46.204 72.556 -99.200 -91.000 HIS 52 0.900 3.756 -28.975 77.658 -99.200 -91.000 TRP 56 1.040 -9.370 -31.632 73.462 -99.200 -91.000 TRP6 56 1.020 -10.562 -29.651 73.965 -99.200 -91.000 PHE 66 1.000 -13.423 -34.401 64.680 -99.200 -91.000 PHE 77 1.000 -0.015 -31.771 62.415 -99.200 -91.000 HIS 78 0.900 -9.461 -35.646 59.219 -99.200 -91.000 PHE 116 1.000 -7.197 -35.890 54.107 -99.200 -91.000 HIS 128 0.900 0.156 -49.132 32.072 -99.200 -91.000 TYR 133 0.840 1.117 -44.545 39.637 -99.200 -91.000 TRP 138 1.040 -5.728 -36.161 41.633 -99.200 -91.000 TRP6 138 1.020 -6.374 -36.052 43.900 -99.200 -91.000 PHE 143 1.000 -8.961 -50.667 38.078 -99.200 -91.000 TRP 152 1.040 -15.234 -51.471 46.884 -99.200 -91.000 TRP6 152 1.020 -16.828 -49.740 46.564 -99.200 -91.000 TYR 154 0.840 -11.430 -48.720 54.155 -99.200 -91.000 PHE 155 1.000 -7.765 -48.980 47.077 -99.200 -91.000 TRP 166 1.040 -6.324 -30.928 47.275 -99.200 -91.000 TRP6 166 1.020 -4.795 -29.423 48.232 -99.200 -91.000 TYR 168 0.840 -14.921 -25.874 53.207 -99.200 -91.000 PHE 176 1.000 -6.487 -29.918 52.555 -99.200 -91.000 PHE 188 1.000 2.832 -51.998 66.928 -99.200 -91.000 HIS 210 0.900 -4.059 -57.799 54.799 -99.200 -91.000 TYR 211 0.840 0.898 -63.095 50.222 -99.200 -91.000 PHE 219 1.000 6.967 -51.763 51.267 -99.200 -91.000 HIS 221 0.900 10.746 -46.352 60.593 -99.200 -91.000 HIS 229 0.900 1.574 -36.762 58.601 -99.200 -91.000 TYR 231 0.840 10.556 -30.114 55.841 -99.200 -91.000 PHE 233 1.000 1.425 -26.419 61.754 -99.200 -91.000 TYR 242 0.840 4.622 -31.007 49.726 -99.200 -91.000 HIS 247 0.900 13.404 -47.666 51.549 -99.200 -91.000 TYR 262 0.840 12.814 -60.579 61.123 -99.200 -91.000 TYR 265 0.840 8.814 -64.738 62.377 -99.200 -91.000 PHE 271 1.000 5.566 -64.054 48.007 -99.200 -91.000 PHE 283 1.000 2.426 -44.160 45.197 -99.200 -91.000 PHE 293 1.000 11.067 -35.703 55.347 -99.200 -91.000 PHE 295 1.000 11.346 -39.980 52.668 -99.200 -91.000 TYR 297 0.840 13.742 -43.936 61.141 -99.200 -91.000 PHE 303 1.000 8.665 -54.620 56.042 -99.200 -91.000 HIS 320 0.900 5.767 -68.061 61.358 -99.200 -91.000