============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -7.509 4.321 13.181 -99.200 -91.000 PHE 14 1.000 -5.486 1.850 18.916 -99.200 -91.000 TRP 25 1.040 11.908 7.236 13.964 -99.200 -91.000 TRP6 25 1.020 13.518 7.239 12.248 -99.200 -91.000 HIS 41 0.900 11.128 -0.613 11.420 -99.200 -91.000 TYR 46 0.840 17.314 4.337 15.115 -99.200 -91.000 PHE 51 1.000 13.218 7.290 19.260 -99.200 -91.000 HIS 75 0.900 9.857 -10.967 20.885 -99.200 -91.000 TYR 78 0.840 14.245 -5.946 15.698 -99.200 -91.000 TYR 102 0.840 -5.118 3.601 28.388 -99.200 -91.000 TRP 123 1.040 0.134 11.665 12.027 -99.200 -91.000 TRP6 123 1.020 -0.234 10.213 13.837 -99.200 -91.000 TYR 154 0.840 7.785 -9.013 0.730 -99.200 -91.000 PHE 164 1.000 -1.018 -8.860 10.271 -99.200 -91.000 TRP 196 1.040 9.212 -6.979 7.000 -99.200 -91.000 TRP6 196 1.020 9.851 -7.994 4.982 -99.200 -91.000 TYR 205 0.840 8.069 -7.301 -4.449 -99.200 -91.000 TYR 209 0.840 0.801 -4.185 7.954 -99.200 -91.000 PHE 218 1.000 8.146 -7.710 23.790 -99.200 -91.000 TYR 222 0.840 8.962 -7.902 29.353 -99.200 -91.000