============================================================================= 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 9 1.000 13.449 16.607 50.111 -99.200 -91.000 TRP 29 1.040 26.663 18.637 41.663 -99.200 -91.000 TRP6 29 1.020 25.493 20.220 40.377 -99.200 -91.000 PHE 31 1.000 22.734 21.420 50.926 -99.200 -91.000 PHE 51 1.000 14.557 35.826 43.850 -99.200 -91.000 PHE 60 1.000 13.833 28.600 59.394 -99.200 -91.000 HIS 70 0.900 39.714 25.441 65.133 -99.200 -91.000 TYR 73 0.840 27.618 28.111 55.904 -99.200 -91.000 TYR 81 0.840 7.065 31.062 47.657 -99.200 -91.000 PHE 83 1.000 8.011 24.169 42.753 -99.200 -91.000 PHE 87 1.000 22.890 29.037 36.050 -99.200 -91.000 TRP 97 1.040 14.411 22.368 40.983 -99.200 -91.000 TRP6 97 1.020 14.082 22.794 43.286 -99.200 -91.000 TYR 122 0.840 16.426 9.738 60.612 -99.200 -91.000 TYR 124 0.840 11.173 11.359 50.231 -99.200 -91.000 PHE 128 1.000 10.841 16.816 55.593 -99.200 -91.000 TYR 142 0.840 27.521 38.871 85.345 -99.200 -91.000 PHE 146 1.000 18.023 40.687 73.639 -99.200 -91.000 TYR 147 0.840 23.644 34.108 75.865 -99.200 -91.000 TYR 150 0.840 21.280 28.123 66.142 -99.200 -91.000 HIS 151 0.900 15.402 24.287 71.610 -99.200 -91.000 TYR 158 0.840 6.918 18.226 76.972 -99.200 -91.000