============================================================================= 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 38.278 -31.156 -1.089 -99.200 -91.000 TYR 18 0.840 20.194 -27.648 0.698 -99.200 -91.000 TYR 24 0.840 20.579 -16.422 4.451 -99.200 -91.000 TYR 25 0.840 15.502 -19.894 -2.099 -99.200 -91.000 HIS 31 0.900 27.975 -22.610 -4.567 -99.200 -91.000 PHE 67 1.000 32.872 -30.173 -0.527 -99.200 -91.000 TYR 88 0.840 45.491 -22.745 6.789 -99.200 -91.000 PHE 104 1.000 31.986 -25.139 2.286 -99.200 -91.000 PHE 114 1.000 33.682 -16.560 15.554 -99.200 -91.000 TRP 126 1.040 45.474 -27.007 21.660 -99.200 -91.000 TRP6 126 1.020 45.514 -25.658 19.721 -99.200 -91.000 TRP 138 1.040 29.865 -21.869 14.082 -99.200 -91.000 TRP6 138 1.020 31.727 -22.684 15.289 -99.200 -91.000 TYR 139 0.840 27.910 -24.389 21.452 -99.200 -91.000 PHE 152 1.000 39.467 -24.671 15.419 -99.200 -91.000 TRP 157 1.040 40.959 -35.995 11.054 -99.200 -91.000 TRP6 157 1.020 39.852 -34.102 10.175 -99.200 -91.000 TYR 160 0.840 33.922 -33.648 11.706 -99.200 -91.000