============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 14 1.000 4.247 -5.055 102.717 -99.200 -91.000 HIS 24 0.900 1.001 -9.744 97.494 -99.200 -91.000 TYR 52 0.840 19.711 -12.888 94.637 -99.200 -91.000 PHE 54 1.000 22.817 -9.994 99.340 -99.200 -91.000 PHE 58 1.000 21.290 -5.677 109.564 -99.200 -91.000 TYR 68 0.840 25.757 3.743 116.062 -99.200 -91.000 TYR 83 0.840 43.582 1.051 110.308 -99.200 -91.000 PHE 88 1.000 29.532 3.332 98.558 -99.200 -91.000 TYR 90 0.840 22.797 -0.027 93.842 -99.200 -91.000 PHE 99 1.000 13.640 5.451 108.589 -99.200 -91.000 TYR 111 0.840 11.269 9.686 121.259 -99.200 -91.000 TRP 113 1.040 20.387 16.641 118.442 -99.200 -91.000 TRP6 113 1.020 22.273 15.273 118.080 -99.200 -91.000 HIS 127 0.900 24.722 11.094 121.216 -99.200 -91.000 PHE 130 1.000 31.573 16.046 119.144 -99.200 -91.000 PHE 140 1.000 36.865 14.605 120.395 -99.200 -91.000 TYR 150 0.840 20.558 17.104 89.424 -99.200 -91.000 PHE 155 1.000 25.307 21.389 92.109 -99.200 -91.000 PHE 171 1.000 40.664 22.290 90.405 -99.200 -91.000 HIS 191 0.900 34.131 24.943 117.097 -99.200 -91.000 TYR 197 0.840 18.527 18.815 114.973 -99.200 -91.000 TYR 217 0.840 20.026 18.072 94.916 -99.200 -91.000 HIS 222 0.900 25.295 9.445 92.402 -99.200 -91.000 PHE 225 1.000 27.491 14.595 107.210 -99.200 -91.000 HIS 230 0.900 43.177 15.980 111.581 -99.200 -91.000 HIS 278 0.900 40.188 1.605 81.785 -99.200 -91.000 TYR 281 0.840 39.223 3.041 90.371 -99.200 -91.000 TYR 322 0.840 25.360 -2.287 91.561 -99.200 -91.000 HIS 324 0.900 25.701 -13.075 95.255 -99.200 -91.000