============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 1 1.000 49.204 15.647 32.490 -99.200 -91.000 PHE 2 1.000 47.607 7.199 35.754 -99.200 -91.000 TYR 12 0.840 58.442 8.143 42.640 -99.200 -91.000 TYR 17 0.840 62.564 -5.515 49.246 -99.200 -91.000 PHE 22 1.000 69.111 -7.402 41.607 -99.200 -91.000 PHE 25 1.000 67.753 -15.039 41.239 -99.200 -91.000 TRP 26 1.040 69.375 -11.052 38.634 -99.200 -91.000 TRP6 26 1.020 68.046 -12.245 37.091 -99.200 -91.000 PHE 36 1.000 72.456 -26.647 30.259 -99.200 -91.000 PHE 42 1.000 72.330 -16.519 13.471 -99.200 -91.000 HIS 48 0.900 55.990 -14.881 -1.287 -99.200 -91.000 TYR 55 0.840 70.119 -15.327 7.413 -99.200 -91.000 PHE 59 1.000 68.313 -17.241 21.858 -99.200 -91.000 TYR 62 0.840 66.207 -21.000 33.595 -99.200 -91.000 TRP 70 1.040 60.612 -14.112 12.880 -99.200 -91.000 TRP6 70 1.020 60.444 -16.191 11.739 -99.200 -91.000 TYR 87 0.840 65.543 -8.237 24.337 -99.200 -91.000 TYR 90 0.840 51.537 -10.178 29.969 -99.200 -91.000 PHE 96 1.000 52.934 -14.645 9.651 -99.200 -91.000 HIS 98 0.900 54.471 -10.275 7.115 -99.200 -91.000 TRP 100 1.040 59.124 -8.791 14.193 -99.200 -91.000 TRP6 100 1.020 58.500 -7.689 16.208 -99.200 -91.000 PHE 102 1.000 61.948 2.343 12.463 -99.200 -91.000 TRP 103 1.040 64.760 -0.936 14.990 -99.200 -91.000 TRP6 103 1.020 65.805 1.195 15.221 -99.200 -91.000 TYR 108 0.840 70.505 0.835 13.172 -99.200 -91.000 PHE 111 1.000 68.674 -12.980 17.864 -99.200 -91.000 TRP 122 1.040 50.719 -8.147 21.116 -99.200 -91.000 TRP6 122 1.020 52.257 -7.298 19.518 -99.200 -91.000 TYR 130 0.840 61.435 -25.775 26.880 -99.200 -91.000 TYR 139 0.840 43.996 -13.453 38.043 -99.200 -91.000 PHE 142 1.000 52.376 -15.907 29.685 -99.200 -91.000 TYR 153 0.840 58.255 -13.632 38.513 -99.200 -91.000 TYR 154 0.840 57.177 -16.054 31.567 -99.200 -91.000 TYR 155 0.840 58.108 -11.378 33.172 -99.200 -91.000 PHE 159 1.000 63.786 -9.925 33.328 -99.200 -91.000 PHE 172 1.000 74.183 -12.927 10.279 -99.200 -91.000 PHE 210 1.000 54.150 -5.181 32.619 -99.200 -91.000 HIS 213 0.900 58.098 2.152 42.658 -99.200 -91.000 PHE 214 1.000 57.515 -6.016 39.205 -99.200 -91.000 HIS 224 0.900 44.237 -8.068 33.627 -99.200 -91.000 TYR 226 0.840 52.858 -2.951 36.329 -99.200 -91.000 PHE 232 1.000 49.836 -15.453 43.745 -99.200 -91.000 HIS 236 0.900 47.394 -17.724 46.491 -99.200 -91.000 PHE 244 1.000 54.278 -6.267 46.347 -99.200 -91.000 TYR 249 0.840 65.927 -11.950 44.594 -99.200 -91.000 PHE 250 1.000 62.885 -12.282 38.857 -99.200 -91.000 PHE 255 1.000 67.444 -6.740 36.566 -99.200 -91.000 PHE 265 1.000 65.128 4.632 30.425 -99.200 -91.000 PHE 280 1.000 59.689 10.966 34.277 -99.200 -91.000 TYR 283 0.840 65.577 9.642 32.348 -99.200 -91.000 TYR 285 0.840 66.753 4.954 42.400 -99.200 -91.000 TYR 286 0.840 70.160 3.387 32.046 -99.200 -91.000 TYR 295 0.840 56.775 11.103 23.001 -99.200 -91.000 TYR 297 0.840 48.804 17.376 26.354 -99.200 -91.000 HIS 300 0.900 51.814 0.731 27.291 -99.200 -91.000 PHE 306 1.000 55.121 13.041 15.791 -99.200 -91.000 PHE 314 1.000 70.209 8.000 22.369 -99.200 -91.000 PHE 319 1.000 75.666 2.746 18.018 -99.200 -91.000