============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 29 1.000 -53.279 -20.664 24.682 -99.200 -91.000 TYR 32 0.840 -52.406 -9.114 26.415 -99.200 -91.000 TRP 36 1.040 -41.140 -8.327 20.084 -99.200 -91.000 TRP6 36 1.020 -39.680 -8.573 21.900 -99.200 -91.000 TRP 47 1.040 -45.233 -1.608 15.650 -99.200 -91.000 TRP6 47 1.020 -45.808 -2.418 13.522 -99.200 -91.000 PHE 55 1.000 -58.071 -14.703 13.698 -99.200 -91.000 TYR 60 0.840 -42.896 -9.471 10.684 -99.200 -91.000 PHE 64 1.000 -36.891 -2.379 12.009 -99.200 -91.000 PHE 75 1.000 -50.954 -24.950 25.144 -99.200 -91.000 TYR 80 0.840 -39.792 -17.146 22.189 -99.200 -91.000 TYR 93 0.840 -33.691 -4.314 19.390 -99.200 -91.000 TYR 94 0.840 -38.164 0.113 25.533 -99.200 -91.000 HIS 98 0.900 -50.393 -3.320 19.979 -99.200 -91.000 TYR 101 0.840 -59.084 -8.904 17.020 -99.200 -91.000 TRP 110 1.040 -44.940 0.650 26.356 -99.200 -91.000 TRP6 110 1.020 -43.673 1.123 24.450 -99.200 -91.000 PHE 129 1.000 -0.161 1.459 27.856 -99.200 -91.000 TYR 138 0.840 -13.345 -0.680 28.764 -99.200 -91.000 PHE 139 1.000 -17.495 -5.165 22.360 -99.200 -91.000 PHE 146 1.000 -11.868 13.332 33.210 -99.200 -91.000 TYR 156 0.840 -17.372 0.614 24.812 -99.200 -91.000