============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 21 1.000 -27.071 39.785 17.126 -99.200 -91.000 TYR 27 0.840 -26.488 36.998 26.322 -99.200 -91.000 PHE 29 1.000 -33.077 39.395 18.702 -99.200 -91.000 PHE 32 1.000 -37.408 48.364 23.137 -99.200 -91.000 TRP 34 1.040 -38.383 51.941 26.195 -99.200 -91.000 TRP6 34 1.020 -36.666 52.799 24.813 -99.200 -91.000 HIS 43 0.900 -27.007 60.935 24.666 -99.200 -91.000 HIS 52 0.900 -28.017 50.252 29.910 -99.200 -91.000 PHE 58 1.000 -25.617 56.867 22.272 -99.200 -91.000 PHE 66 1.000 -27.249 44.449 16.147 -99.200 -91.000 PHE 67 1.000 -31.249 42.836 13.366 -99.200 -91.000 TRP 76 1.040 -19.212 29.373 6.157 -99.200 -91.000 TRP6 76 1.020 -20.158 29.075 8.297 -99.200 -91.000 TYR 77 0.840 -24.297 30.812 6.904 -99.200 -91.000 PHE 88 1.000 -31.187 36.487 13.506 -99.200 -91.000 TYR 105 0.840 -29.998 54.599 19.937 -99.200 -91.000 TYR 115 0.840 -31.802 48.366 25.148 -99.200 -91.000