============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 12.079 44.295 76.374 -99.200 -91.000 HIS 23 0.900 5.640 53.632 70.957 -99.200 -91.000 HIS 25 0.900 2.539 48.871 69.481 -99.200 -91.000 PHE 38 1.000 7.069 58.638 68.431 -99.200 -91.000 HIS 57 0.900 35.342 56.626 70.662 -99.200 -91.000 PHE 61 1.000 19.124 58.903 65.230 -99.200 -91.000 HIS 73 0.900 -2.081 52.800 64.605 -99.200 -91.000 TYR 77 0.840 -0.290 65.015 59.617 -99.200 -91.000 HIS 92 0.900 25.586 63.212 65.374 -99.200 -91.000 PHE 96 1.000 11.871 59.966 61.256 -99.200 -91.000 HIS 97 0.900 15.592 54.471 54.369 -99.200 -91.000 PHE 121 1.000 7.751 61.008 59.072 -99.200 -91.000 PHE 129 1.000 8.008 52.927 55.531 -99.200 -91.000 TYR 131 0.840 15.059 55.957 63.770 -99.200 -91.000 HIS 132 0.900 20.082 56.531 56.833 -99.200 -91.000 TRP 141 1.040 32.839 57.463 60.986 -99.200 -91.000 TRP6 141 1.020 33.040 59.530 62.097 -99.200 -91.000 HIS 142 0.900 27.633 61.127 61.669 -99.200 -91.000 HIS 160 0.900 -6.809 43.206 58.098 -99.200 -91.000 TYR 169 0.840 1.879 43.236 66.892 -99.200 -91.000 TYR 173 0.840 10.632 40.234 72.120 -99.200 -91.000 TYR 174 0.840 14.228 48.047 65.743 -99.200 -91.000 PHE 180 1.000 28.827 48.397 65.870 -99.200 -91.000 TYR 181 0.840 31.781 47.834 58.025 -99.200 -91.000 TYR 190 0.840 38.306 43.409 66.668 -99.200 -91.000 TYR 193 0.840 40.999 54.222 66.759 -99.200 -91.000 TYR 200 0.840 36.284 59.931 58.364 -99.200 -91.000 HIS 214 0.900 33.318 43.198 66.337 -99.200 -91.000 PHE 217 1.000 20.658 39.611 65.172 -99.200 -91.000 HIS 242 0.900 16.828 41.232 61.519 -99.200 -91.000 HIS 252 0.900 16.428 29.593 59.594 -99.200 -91.000 HIS 257 0.900 9.098 26.616 59.753 -99.200 -91.000 TYR 260 0.840 0.312 34.738 58.101 -99.200 -91.000 TRP 262 1.040 3.488 42.086 55.738 -99.200 -91.000 TRP6 262 1.020 2.957 41.110 57.828 -99.200 -91.000 PHE 267 1.000 3.226 46.391 58.201 -99.200 -91.000 TRP 278 1.040 12.492 37.024 57.598 -99.200 -91.000 TRP6 278 1.020 12.113 35.087 58.907 -99.200 -91.000 PHE 279 1.000 18.617 39.723 50.677 -99.200 -91.000 PHE 289 1.000 1.269 37.239 63.345 -99.200 -91.000 TYR 290 0.840 7.039 30.341 64.303 -99.200 -91.000 PHE 292 1.000 8.337 31.595 69.082 -99.200 -91.000 TYR 298 0.840 11.888 28.080 69.032 -99.200 -91.000 TYR 300 0.840 15.377 36.844 64.365 -99.200 -91.000 HIS 303 0.900 20.848 29.649 57.923 -99.200 -91.000 PHE 309 1.000 25.223 30.197 65.051 -99.200 -91.000 HIS 316 0.900 20.946 32.215 72.539 -99.200 -91.000 PHE 317 1.000 12.267 35.060 69.859 -99.200 -91.000 TRP 323 1.040 8.626 17.730 72.045 -99.200 -91.000 TRP6 323 1.020 10.119 19.198 70.943 -99.200 -91.000