============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 26.302 27.245 38.644 -99.200 -91.000 HIS 7 0.900 29.069 30.662 48.966 -99.200 -91.000 PHE 9 1.000 27.134 30.061 52.811 -99.200 -91.000 PHE 14 1.000 22.109 27.532 43.131 -99.200 -91.000 PHE 23 1.000 34.388 24.006 32.208 -99.200 -91.000 PHE 35 1.000 47.887 22.175 20.286 -99.200 -91.000 PHE 49 1.000 59.701 18.178 15.533 -99.200 -91.000 PHE 64 1.000 54.898 21.612 32.495 -99.200 -91.000 HIS 73 0.900 53.538 36.686 38.864 -99.200 -91.000 HIS 102 0.900 52.745 27.098 21.104 -99.200 -91.000 PHE 103 1.000 58.092 24.438 13.296 -99.200 -91.000 HIS 132 0.900 20.178 7.568 36.638 -99.200 -91.000 HIS 146 0.900 -2.637 4.486 37.226 -99.200 -91.000 TYR 152 0.840 -4.558 23.788 37.282 -99.200 -91.000 TRP 170 1.040 7.225 17.666 33.143 -99.200 -91.000 TRP6 170 1.020 6.367 16.383 34.940 -99.200 -91.000 HIS 177 0.900 16.253 19.388 24.722 -99.200 -91.000 PHE 184 1.000 28.363 20.543 19.253 -99.200 -91.000 PHE 189 1.000 32.172 18.365 22.192 -99.200 -91.000 PHE 193 1.000 48.375 22.608 13.884 -99.200 -91.000 TRP 226 1.040 37.726 25.430 15.157 -99.200 -91.000 TRP6 226 1.020 37.290 25.874 17.438 -99.200 -91.000 HIS 227 0.900 43.310 30.427 14.808 -99.200 -91.000 PHE 236 1.000 28.641 21.937 24.387 -99.200 -91.000 PHE 250 1.000 10.853 17.512 36.545 -99.200 -91.000 PHE 283 1.000 23.981 31.459 35.025 -99.200 -91.000 HIS 292 0.900 23.550 32.702 19.181 -99.200 -91.000 TRP 306 1.040 39.562 33.090 22.391 -99.200 -91.000 TRP6 306 1.020 41.913 33.444 22.428 -99.200 -91.000 TRP 310 1.040 38.810 32.835 26.950 -99.200 -91.000 TRP6 310 1.020 40.897 33.908 27.307 -99.200 -91.000