============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 25 1.040 111.796 22.840 177.212 -99.200 -91.000 TRP6 25 1.020 113.803 21.642 177.529 -99.200 -91.000 PHE 56 1.000 103.999 19.383 168.857 -99.200 -91.000 PHE 95 1.000 103.625 25.323 148.627 -99.200 -91.000 TYR 105 0.840 96.277 28.299 123.277 -99.200 -91.000 TYR 110 0.840 103.905 37.561 104.275 -99.200 -91.000 TYR 111 0.840 95.439 38.391 102.329 -99.200 -91.000 TYR 117 0.840 93.892 44.835 83.822 -99.200 -91.000 TRP 124 1.040 85.219 45.679 98.216 -99.200 -91.000 TRP6 124 1.020 83.994 43.933 99.217 -99.200 -91.000 PHE 148 1.000 100.106 44.056 102.498 -99.200 -91.000 PHE 151 1.000 100.840 35.783 93.739 -99.200 -91.000 TYR 159 0.840 106.862 33.511 82.302 -99.200 -91.000 TYR 161 0.840 101.446 42.294 77.951 -99.200 -91.000 TYR 173 0.840 102.015 53.444 75.812 -99.200 -91.000 PHE 183 1.000 104.557 43.401 92.315 -99.200 -91.000 TYR 185 0.840 107.375 37.666 98.359 -99.200 -91.000 HIS 187 0.900 107.864 41.370 104.051 -99.200 -91.000 PHE 198 1.000 96.979 42.908 107.120 -99.200 -91.000 PHE 218 1.000 102.433 26.675 93.547 -99.200 -91.000 TRP 233 1.040 107.109 32.962 108.930 -99.200 -91.000 TRP6 233 1.020 104.782 32.821 108.543 -99.200 -91.000 HIS 239 0.900 105.324 29.730 112.692 -99.200 -91.000 PHE 243 1.000 99.064 31.491 96.215 -99.200 -91.000 HIS 250 0.900 103.883 30.325 84.830 -99.200 -91.000 HIS 269 0.900 118.207 33.109 96.701 -99.200 -91.000 HIS 275 0.900 110.695 44.690 94.647 -99.200 -91.000 TYR 276 0.840 112.569 34.658 94.180 -99.200 -91.000 TYR 284 0.840 107.541 30.133 87.621 -99.200 -91.000 PHE 303 1.000 97.410 26.081 97.701 -99.200 -91.000 TYR 313 0.840 95.354 27.285 93.130 -99.200 -91.000 TYR 316 0.840 98.400 22.460 91.522 -99.200 -91.000 TYR 343 0.840 92.947 30.708 118.836 -99.200 -91.000 PHE 365 1.000 107.159 20.530 142.300 -99.200 -91.000 PHE 392 1.000 100.793 21.416 138.307 -99.200 -91.000 PHE 409 1.000 109.891 27.855 147.369 -99.200 -91.000 PHE 416 1.000 100.869 29.779 131.898 -99.200 -91.000 PHE 426 1.000 114.328 28.051 156.677 -99.200 -91.000 HIS 441 0.900 116.816 34.546 191.855 -99.200 -91.000 PHE 450 1.000 115.617 29.103 185.668 -99.200 -91.000