============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 8 0.900 -1.453 -15.303 -2.963 -99.200 -91.000 HIS 12 0.900 4.427 -19.831 7.377 -99.200 -91.000 PHE 15 1.000 15.561 -14.162 3.279 -99.200 -91.000 PHE 17 1.000 18.016 -12.329 -2.885 -99.200 -91.000 TYR 20 0.840 16.515 -6.447 -11.001 -99.200 -91.000 TRP 33 1.040 21.667 -13.615 -6.109 -99.200 -91.000 TRP6 33 1.020 19.576 -13.915 -7.169 -99.200 -91.000 TRP 46 1.040 5.508 -12.265 -1.360 -99.200 -91.000 TRP6 46 1.020 4.500 -12.667 -3.451 -99.200 -91.000 HIS 53 0.900 10.610 -11.984 -6.827 -99.200 -91.000 TRP 54 1.040 4.902 -17.257 -4.802 -99.200 -91.000 TRP6 54 1.020 4.578 -17.692 -2.503 -99.200 -91.000 TYR 66 0.840 13.874 -22.588 -14.548 -99.200 -91.000 TYR 69 0.840 5.730 -27.824 -21.200 -99.200 -91.000 HIS 71 0.900 0.618 -27.028 -12.607 -99.200 -91.000 PHE 72 1.000 5.826 -23.737 -11.203 -99.200 -91.000 PHE 78 1.000 14.457 -11.178 -18.243 -99.200 -91.000 TYR 87 0.840 12.383 -12.145 -22.187 -99.200 -91.000 PHE 89 1.000 14.735 -9.982 -26.077 -99.200 -91.000 PHE 102 1.000 9.366 -19.464 -33.401 -99.200 -91.000 PHE 141 1.000 39.447 -10.772 -17.474 -99.200 -91.000 TYR 145 0.840 40.170 -12.173 -22.755 -99.200 -91.000 PHE 149 1.000 37.532 -14.619 -26.217 -99.200 -91.000 PHE 154 1.000 25.771 -11.749 -31.037 -99.200 -91.000 HIS 167 0.900 22.300 2.501 -28.901 -99.200 -91.000 TYR 170 0.840 22.750 2.601 -21.100 -99.200 -91.000 PHE 184 1.000 12.851 -6.409 -20.996 -99.200 -91.000 TYR 192 0.840 12.397 -6.076 -30.218 -99.200 -91.000 TYR 194 0.840 21.938 -2.006 -34.096 -99.200 -91.000 PHE 247 1.000 31.816 -18.658 -15.851 -99.200 -91.000 PHE 250 1.000 30.412 -13.144 -11.225 -99.200 -91.000 PHE 254 1.000 38.669 -19.923 -7.664 -99.200 -91.000 HIS 261 0.900 41.452 -23.515 -6.584 -99.200 -91.000 PHE 283 1.000 33.536 -18.159 -8.789 -99.200 -91.000 TYR 296 0.840 1.356 -26.797 -9.077 -99.200 -91.000 PHE 298 1.000 6.777 -26.309 -7.008 -99.200 -91.000 HIS 299 0.900 8.478 -29.134 -3.522 -99.200 -91.000 HIS 328 0.900 37.157 -26.746 -1.840 -99.200 -91.000 PHE 331 1.000 39.911 -25.606 -10.980 -99.200 -91.000 HIS 338 0.900 26.166 -26.695 -14.414 -99.200 -91.000 PHE 341 1.000 26.171 -23.012 -19.954 -99.200 -91.000 HIS 343 0.900 16.364 -29.187 -15.231 -99.200 -91.000 HIS 346 0.900 11.927 -21.700 -22.727 -99.200 -91.000 HIS 352 0.900 26.675 -27.015 -27.140 -99.200 -91.000 TRP 365 1.040 45.133 -14.329 -17.864 -99.200 -91.000 TRP6 365 1.020 44.455 -12.189 -18.623 -99.200 -91.000 PHE 372 1.000 45.732 -14.168 -13.236 -99.200 -91.000 HIS 382 0.900 31.312 -10.452 -7.165 -99.200 -91.000 TRP 397 1.040 50.884 -9.284 -16.028 -99.200 -91.000 TRP6 397 1.020 48.696 -8.509 -16.464 -99.200 -91.000