============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 60.350 -1.274 18.415 -99.200 -91.000 TYR 14 0.840 55.702 11.092 21.493 -99.200 -91.000 TYR 22 0.840 50.824 2.381 42.124 -99.200 -91.000 HIS 23 0.900 53.795 3.416 34.176 -99.200 -91.000 PHE 24 1.000 48.358 6.395 37.987 -99.200 -91.000 TRP 34 1.040 47.881 22.963 29.847 -99.200 -91.000 TRP6 34 1.020 45.907 22.440 31.015 -99.200 -91.000 HIS 40 0.900 41.345 3.551 31.607 -99.200 -91.000 TYR 42 0.840 40.658 12.129 39.071 -99.200 -91.000 PHE 64 1.000 61.202 11.642 39.158 -99.200 -91.000 HIS 73 0.900 34.452 15.107 27.202 -99.200 -91.000 TYR 76 0.840 35.574 8.137 32.000 -99.200 -91.000 TRP 121 1.040 58.268 2.667 31.023 -99.200 -91.000 TRP6 121 1.020 57.756 4.921 30.607 -99.200 -91.000 TYR 131 0.840 52.436 -4.819 34.863 -99.200 -91.000 TYR 152 0.840 36.906 -5.188 20.926 -99.200 -91.000 PHE 161 1.000 42.584 5.162 16.670 -99.200 -91.000 TYR 165 0.840 50.208 -5.879 13.978 -99.200 -91.000 TRP 193 1.040 37.665 0.268 25.280 -99.200 -91.000 TRP6 193 1.020 36.546 -1.592 24.400 -99.200 -91.000 TYR 206 0.840 44.985 1.826 20.478 -99.200 -91.000 TYR 212 0.840 37.360 13.332 22.461 -99.200 -91.000 TRP 215 1.040 36.746 19.369 26.099 -99.200 -91.000 TRP6 215 1.020 38.327 18.023 27.209 -99.200 -91.000