============================================================================= 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 37.609 2.859 17.051 -99.200 -91.000 TYR 18 0.840 43.677 20.084 15.284 -99.200 -91.000 TYR 24 0.840 33.933 25.684 11.405 -99.200 -91.000 TYR 25 0.840 39.415 28.234 17.994 -99.200 -91.000 HIS 31 0.900 35.429 16.159 20.553 -99.200 -91.000 PHE 67 1.000 39.491 7.968 16.456 -99.200 -91.000 TYR 88 0.840 26.680 0.893 8.857 -99.200 -91.000 PHE 104 1.000 35.580 11.344 13.505 -99.200 -91.000 PHE 114 1.000 27.941 14.045 -0.282 -99.200 -91.000 TRP 126 1.040 30.623 -1.720 -5.855 -99.200 -91.000 TRP6 126 1.020 29.422 -1.077 -3.915 -99.200 -91.000 TRP 138 1.040 34.228 14.738 1.519 -99.200 -91.000 TRP6 138 1.020 33.980 12.708 0.348 -99.200 -91.000 TYR 139 0.840 37.654 14.937 -5.772 -99.200 -91.000 PHE 153 1.000 31.601 5.144 0.377 -99.200 -91.000 TRP 158 1.040 40.532 -2.044 5.022 -99.200 -91.000 TRP6 158 1.020 39.535 -0.061 5.815 -99.200 -91.000 TYR 161 0.840 42.125 5.195 4.302 -99.200 -91.000