============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 14 0.900 -3.800 53.646 97.630 -99.200 -91.000 TYR 36 0.840 1.783 47.015 109.132 -99.200 -91.000 TYR 40 0.840 -13.480 56.433 108.470 -99.200 -91.000 PHE 44 1.000 -22.093 56.917 102.526 -99.200 -91.000 HIS 53 0.900 -13.996 45.917 109.411 -99.200 -91.000 PHE 55 1.000 -11.339 44.101 102.934 -99.200 -91.000 PHE 64 1.000 -7.417 30.576 98.589 -99.200 -91.000 HIS 70 0.900 -2.089 22.915 89.961 -99.200 -91.000 TRP 87 1.040 -14.002 15.746 84.139 -99.200 -91.000 TRP6 87 1.020 -11.704 15.851 83.566 -99.200 -91.000 PHE 88 1.000 -16.151 20.474 81.576 -99.200 -91.000 HIS 105 0.900 -5.872 33.242 83.284 -99.200 -91.000 PHE 112 1.000 -18.096 34.307 83.838 -99.200 -91.000 TRP 124 1.040 -25.551 34.371 87.533 -99.200 -91.000 TRP6 124 1.020 -25.813 34.354 85.176 -99.200 -91.000 PHE 132 1.000 -24.512 35.947 80.406 -99.200 -91.000 PHE 134 1.000 -18.416 27.814 74.768 -99.200 -91.000 HIS 136 0.900 -25.175 36.672 76.263 -99.200 -91.000 TRP 143 1.040 -2.497 24.920 73.581 -99.200 -91.000 TRP6 143 1.020 -1.341 25.295 75.622 -99.200 -91.000 HIS 144 0.900 -6.015 33.164 72.315 -99.200 -91.000 TYR 148 0.840 -8.183 37.086 84.358 -99.200 -91.000 TYR 153 0.840 -8.379 29.665 86.950 -99.200 -91.000 HIS 162 0.900 -19.034 16.473 86.319 -99.200 -91.000 TYR 168 0.840 -16.633 26.034 93.316 -99.200 -91.000 HIS 171 0.900 -10.636 19.268 96.306 -99.200 -91.000 PHE 177 1.000 -11.296 27.735 102.229 -99.200 -91.000 TRP 186 1.040 -17.597 31.528 105.648 -99.200 -91.000 TRP6 186 1.020 -16.553 33.250 106.877 -99.200 -91.000 HIS 190 0.900 -21.092 25.616 95.233 -99.200 -91.000 PHE 193 1.000 -20.363 36.853 102.337 -99.200 -91.000 TYR 202 0.840 -18.029 52.553 100.787 -99.200 -91.000 HIS 204 0.900 -14.116 56.062 95.466 -99.200 -91.000 TRP 214 1.040 -17.092 44.273 86.414 -99.200 -91.000 TRP6 214 1.020 -15.934 45.371 88.163 -99.200 -91.000 TRP 227 1.040 -23.519 54.473 92.424 -99.200 -91.000 TRP6 227 1.020 -21.920 55.487 91.002 -99.200 -91.000 TRP 232 1.040 -24.051 47.858 93.359 -99.200 -91.000 TRP6 232 1.020 -22.620 48.982 91.845 -99.200 -91.000 PHE 233 1.000 -21.417 39.222 90.086 -99.200 -91.000 PHE 254 1.000 -3.703 29.559 99.028 -99.200 -91.000 PHE 259 1.000 4.198 31.169 96.731 -99.200 -91.000 TRP 270 1.040 8.332 23.535 87.768 -99.200 -91.000 TRP6 270 1.020 7.328 22.538 85.867 -99.200 -91.000 PHE 280 1.000 -2.600 43.721 78.843 -99.200 -91.000 PHE 281 1.000 -6.989 41.782 84.987 -99.200 -91.000 HIS 291 0.900 0.160 25.528 84.101 -99.200 -91.000 TYR 298 0.840 3.480 45.047 92.370 -99.200 -91.000 HIS 306 0.900 -5.291 35.657 90.134 -99.200 -91.000 HIS 313 0.900 -14.906 44.491 99.375 -99.200 -91.000 PHE 338 1.000 -10.296 45.645 82.711 -99.200 -91.000 PHE 341 1.000 -5.892 56.507 93.178 -99.200 -91.000 TYR 342 0.840 -10.980 56.428 93.306 -99.200 -91.000