============================================================================= 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 17 1.000 17.587 31.979 -3.062 -99.200 -91.000 TRP 21 1.040 12.510 28.966 -12.906 -99.200 -91.000 TRP6 21 1.020 11.208 27.118 -13.645 -99.200 -91.000 TRP 24 1.040 18.944 22.455 -9.560 -99.200 -91.000 TRP6 24 1.020 18.115 20.279 -9.298 -99.200 -91.000 PHE 38 1.000 25.702 34.583 -4.298 -99.200 -91.000 HIS 49 0.900 23.565 17.727 3.235 -99.200 -91.000 TRP 50 1.040 22.723 14.621 -3.452 -99.200 -91.000 TRP6 50 1.020 22.343 16.140 -5.217 -99.200 -91.000 TYR 55 0.840 8.757 17.570 -0.024 -99.200 -91.000 TYR 59 0.840 5.327 22.071 -1.987 -99.200 -91.000 PHE 60 1.000 10.212 26.458 -8.563 -99.200 -91.000 TYR 63 0.840 1.808 20.583 -4.805 -99.200 -91.000 HIS 75 0.900 10.601 14.156 1.745 -99.200 -91.000 TYR 88 0.840 19.956 15.627 10.989 -99.200 -91.000 TYR 90 0.840 18.292 26.950 10.358 -99.200 -91.000 PHE 93 1.000 20.006 21.477 2.916 -99.200 -91.000