============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 18 1.000 20.015 -34.491-103.904 -99.200 -91.000 HIS 22 0.900 16.138 -38.228 -89.146 -99.200 -91.000 HIS 24 0.900 20.950 -37.445 -85.898 -99.200 -91.000 PHE 28 1.000 27.416 -34.439 -76.807 -99.200 -91.000 TRP 36 1.040 32.415 -40.595 -65.718 -99.200 -91.000 TRP6 36 1.020 30.137 -41.147 -65.404 -99.200 -91.000 HIS 38 0.900 37.130 -41.035 -68.862 -99.200 -91.000 TYR 40 0.840 31.644 -38.462 -74.978 -99.200 -91.000 PHE 46 1.000 36.139 -29.019 -87.276 -99.200 -91.000 PHE 59 1.000 28.640 -38.939-104.502 -99.200 -91.000 PHE 78 1.000 31.106 -30.943 -83.817 -99.200 -91.000 TYR 97 0.840 16.017 -39.754 -79.681 -99.200 -91.000 TYR 99 0.840 14.128 -44.396 -77.748 -99.200 -91.000 PHE 104 1.000 15.696 -37.784 -62.003 -99.200 -91.000 TYR 105 0.840 13.515 -27.613 -66.025 -99.200 -91.000 PHE 106 1.000 11.814 -31.000 -69.287 -99.200 -91.000 PHE 118 1.000 10.022 -28.538 -77.451 -99.200 -91.000 HIS 120 0.900 15.401 -19.219 -75.569 -99.200 -91.000 PHE 135 1.000 14.728 -29.655 -87.491 -99.200 -91.000 HIS 169 0.900 13.681 -42.705 -83.011 -99.200 -91.000 HIS 173 0.900 9.206 -53.477 -87.291 -99.200 -91.000 HIS 198 0.900 14.096 -42.890 -87.608 -99.200 -91.000 TYR 207 0.840 2.710 -48.180 -89.446 -99.200 -91.000 PHE 217 1.000 6.224 -33.888 -97.040 -99.200 -91.000 TYR 223 0.840 17.498 -46.237 -98.771 -99.200 -91.000 PHE 228 1.000 17.683 -49.535 -86.421 -99.200 -91.000 TYR 246 0.840 0.973 -43.976-101.502 -99.200 -91.000 HIS 254 0.900 22.482 -41.394 -96.668 -99.200 -91.000 TYR 256 0.840 27.595 -41.831 -91.245 -99.200 -91.000 TRP 262 1.040 23.131 -43.636 -78.915 -99.200 -91.000 TRP6 262 1.020 20.991 -44.313 -79.656 -99.200 -91.000 TYR 269 0.840 29.270 -54.266 -81.278 -99.200 -91.000 TRP 277 1.040 24.348 -45.609 -91.395 -99.200 -91.000 TRP6 277 1.020 24.821 -45.187 -89.116 -99.200 -91.000 PHE 283 1.000 23.916 -38.236-103.112 -99.200 -91.000 PHE 289 1.000 16.290 -50.697-106.984 -99.200 -91.000 PHE 304 1.000 16.954 -37.736-102.744 -99.200 -91.000 PHE 311 1.000 9.115 -31.289 -92.835 -99.200 -91.000 PHE 312 1.000 12.647 -27.463 -93.272 -99.200 -91.000