============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 29 0.900 29.644 17.893 -21.184 -99.200 -91.000 HIS 32 0.900 24.922 7.694 -22.367 -99.200 -91.000 PHE 34 1.000 19.387 11.641 -24.996 -99.200 -91.000 TYR 39 0.840 14.638 15.650 -26.047 -99.200 -91.000 TYR 43 0.840 9.540 13.770 -24.189 -99.200 -91.000 PHE 44 1.000 6.059 13.184 -28.523 -99.200 -91.000 HIS 51 0.900 -0.265 6.771 -28.160 -99.200 -91.000 PHE 59 1.000 9.025 17.815 -27.209 -99.200 -91.000 HIS 61 0.900 6.753 25.720 -34.808 -99.200 -91.000 TYR 72 0.840 26.946 17.077 -24.052 -99.200 -91.000 PHE 73 1.000 19.093 14.997 -21.388 -99.200 -91.000 TYR 75 0.840 17.911 10.511 -19.667 -99.200 -91.000 PHE 79 1.000 20.370 4.465 -16.555 -99.200 -91.000 TYR 83 0.840 15.912 2.857 -13.847 -99.200 -91.000 TYR 89 0.840 1.153 13.125 -17.093 -99.200 -91.000 TRP 120 1.040 42.284 27.517 -5.510 -99.200 -91.000 TRP6 120 1.020 41.970 26.040 -3.681 -99.200 -91.000 HIS 129 0.900 33.675 28.336 4.847 -99.200 -91.000 PHE 132 1.000 26.320 18.877 -4.772 -99.200 -91.000 PHE 145 1.000 28.368 12.287 4.583 -99.200 -91.000 HIS 154 0.900 41.759 18.693 6.371 -99.200 -91.000 TYR 160 0.840 27.777 27.018 4.304 -99.200 -91.000 TYR 163 0.840 19.309 18.406 -0.980 -99.200 -91.000 TYR 167 0.840 15.486 30.534 -6.683 -99.200 -91.000 TYR 175 0.840 23.382 29.565 0.548 -99.200 -91.000 HIS 207 0.900 1.751 19.621 -16.816 -99.200 -91.000 PHE 217 1.000 14.022 22.493 -16.960 -99.200 -91.000 PHE 239 1.000 34.396 36.828 -14.153 -99.200 -91.000 HIS 257 0.900 3.025 26.726 -8.079 -99.200 -91.000 HIS 259 0.900 3.782 21.771 -6.676 -99.200 -91.000 PHE 267 1.000 9.053 23.311 -15.799 -99.200 -91.000 TYR 268 0.840 2.156 21.262 -12.131 -99.200 -91.000 PHE 289 1.000 25.196 48.403 -11.632 -99.200 -91.000 TRP 300 1.040 20.293 48.638 -18.484 -99.200 -91.000 TRP6 300 1.020 21.047 48.490 -16.228 -99.200 -91.000 PHE 304 1.000 31.484 41.207 -16.235 -99.200 -91.000 TRP 305 1.040 24.734 42.480 -19.808 -99.200 -91.000 TRP6 305 1.020 23.247 43.122 -18.078 -99.200 -91.000 HIS 308 0.900 18.974 29.615 -15.673 -99.200 -91.000 PHE 329 1.000 21.410 38.806 -22.467 -99.200 -91.000 TRP 337 1.040 24.003 25.455 -30.938 -99.200 -91.000 TRP6 337 1.020 22.005 25.602 -32.215 -99.200 -91.000 TYR 339 0.840 28.154 22.846 -22.823 -99.200 -91.000 TYR 349 0.840 28.632 23.679 -18.356 -99.200 -91.000 TYR 366 0.840 40.703 36.583 -15.968 -99.200 -91.000 TRP 372 1.040 32.010 48.143 -12.021 -99.200 -91.000 TRP6 372 1.020 31.764 47.351 -9.797 -99.200 -91.000 PHE 378 1.000 16.798 35.870 -15.290 -99.200 -91.000 HIS 390 0.900 36.236 45.461 -10.438 -99.200 -91.000