============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 0.430 36.351 38.599 -99.200 -91.000 TYR 18 0.840 8.936 50.844 46.936 -99.200 -91.000 TYR 24 0.840 11.055 58.449 38.111 -99.200 -91.000 TYR 25 0.840 7.848 60.007 46.155 -99.200 -91.000 HIS 31 0.900 0.139 50.865 41.502 -99.200 -91.000 PHE 67 1.000 2.637 40.924 41.701 -99.200 -91.000 TYR 88 0.840 2.916 36.878 25.646 -99.200 -91.000 PHE 104 1.000 4.778 44.683 37.617 -99.200 -91.000 PHE 114 1.000 14.180 47.973 25.381 -99.200 -91.000 TRP 126 1.040 16.747 31.930 21.680 -99.200 -91.000 TRP6 126 1.020 14.737 33.100 21.559 -99.200 -91.000 TRP 138 1.040 15.562 47.250 31.525 -99.200 -91.000 TRP6 138 1.020 15.975 45.260 30.312 -99.200 -91.000 TYR 139 0.840 23.220 46.124 30.845 -99.200 -91.000 PHE 153 1.000 13.301 38.203 26.738 -99.200 -91.000 TRP 158 1.040 11.433 29.605 35.216 -99.200 -91.000 TRP6 158 1.020 10.569 31.787 35.055 -99.200 -91.000 TYR 161 0.840 14.355 35.913 37.664 -99.200 -91.000