============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TRP 10 1.040 -31.083 19.618 34.590 -99.200 -91.000 TRP6 10 1.020 -29.119 18.892 35.677 -99.200 -91.000 PHE 41 1.000 -27.046 10.025 36.830 -99.200 -91.000 HIS 44 0.900 -13.931 12.209 30.420 -99.200 -91.000 TYR 47 0.840 -13.437 21.875 26.749 -99.200 -91.000 PHE 67 1.000 -18.950 17.379 25.777 -99.200 -91.000 TRP 77 1.040 -25.497 18.063 25.754 -99.200 -91.000 TRP6 77 1.020 -24.577 16.207 24.650 -99.200 -91.000 PHE 85 1.000 -28.772 -2.215 31.866 -99.200 -91.000 TRP 86 1.040 -29.773 5.413 39.008 -99.200 -91.000 TRP6 86 1.020 -31.445 4.179 40.122 -99.200 -91.000 PHE 88 1.000 -30.568 14.222 35.803 -99.200 -91.000 PHE 97 1.000 -30.195 15.818 40.901 -99.200 -91.000 HIS 107 0.900 -5.698 17.642 26.328 -99.200 -91.000 HIS 120 0.900 -24.214 26.765 38.568 -99.200 -91.000 HIS 123 0.900 -31.988 26.164 43.301 -99.200 -91.000 PHE 124 1.000 -34.033 19.290 38.772 -99.200 -91.000 TRP 130 1.040 -47.506 27.472 48.113 -99.200 -91.000 TRP6 130 1.020 -46.157 27.558 50.070 -99.200 -91.000 PHE 144 1.000 -44.768 21.796 41.531 -99.200 -91.000 PHE 152 1.000 -50.023 32.844 38.611 -99.200 -91.000 PHE 159 1.000 -43.531 12.649 34.033 -99.200 -91.000 TYR 168 0.840 -38.903 14.742 35.789 -99.200 -91.000 HIS 176 0.900 -39.973 28.664 31.101 -99.200 -91.000 PHE 178 1.000 -47.358 28.296 30.330 -99.200 -91.000 TYR 185 0.840 -51.580 7.812 35.125 -99.200 -91.000 TYR 186 0.840 -49.666 2.971 37.272 -99.200 -91.000 PHE 188 1.000 -48.566 9.944 45.244 -99.200 -91.000 TYR 202 0.840 -57.448 10.451 39.391 -99.200 -91.000 PHE 203 1.000 -56.692 10.410 34.068 -99.200 -91.000 TYR 209 0.840 -57.368 21.515 42.862 -99.200 -91.000 HIS 213 0.900 -55.907 27.334 42.940 -99.200 -91.000 PHE 239 1.000 -64.414 9.835 24.709 -99.200 -91.000 TYR 262 0.840 -66.469 11.247 30.243 -99.200 -91.000 HIS 264 0.900 -73.065 2.826 30.467 -99.200 -91.000 TYR 272 0.840 -49.181 -6.679 25.658 -99.200 -91.000 PHE 281 1.000 -25.993 -8.226 15.716 -99.200 -91.000 TYR 298 0.840 -58.463 7.753 8.053 -99.200 -91.000 HIS 322 0.900 -35.283 1.222 18.745 -99.200 -91.000 TRP 324 1.040 -45.546 4.372 21.564 -99.200 -91.000 TRP6 324 1.020 -47.150 4.032 23.266 -99.200 -91.000 TYR 329 0.840 -48.800 3.853 17.290 -99.200 -91.000 HIS 340 0.900 -63.398 11.608 11.416 -99.200 -91.000 TYR 350 0.840 -37.925 17.834 18.215 -99.200 -91.000 HIS 355 0.900 -41.793 6.268 24.847 -99.200 -91.000 TYR 356 0.840 -39.142 6.828 28.996 -99.200 -91.000 TYR 361 0.840 -29.564 22.263 28.533 -99.200 -91.000 PHE 362 1.000 -34.603 16.274 33.543 -99.200 -91.000 HIS 370 0.900 -41.699 -2.491 30.031 -99.200 -91.000 HIS 376 0.900 -31.517 -4.723 32.862 -99.200 -91.000 TRP 379 1.040 -35.981 3.013 27.818 -99.200 -91.000 TRP6 379 1.020 -38.140 2.099 27.891 -99.200 -91.000 HIS 386 0.900 -33.580 11.795 23.750 -99.200 -91.000 TRP 394 1.040 -38.585 24.109 28.445 -99.200 -91.000 TRP6 394 1.020