============================================================================= 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 25 1.000 -22.877 8.048 5.746 -99.200 -91.000 TYR 31 0.840 -16.500 11.746 -5.446 -99.200 -91.000 TRP 35 1.040 -15.869 0.724 6.278 -99.200 -91.000 TRP6 35 1.020 -16.364 0.527 8.577 -99.200 -91.000 PHE 36 1.000 -8.693 5.134 5.884 -99.200 -91.000 TYR 76 0.840 -22.619 -6.612 5.795 -99.200 -91.000 TYR 88 0.840 -11.084 -3.803 11.631 -99.200 -91.000 TYR 100 0.840 -12.167 18.649 -3.080 -99.200 -91.000 PHE 104 1.000 -10.396 9.687 9.065 -99.200 -91.000 HIS 113 0.900 -11.398 -12.904 22.761 -99.200 -91.000 TYR 115 0.840 -11.951 -24.508 18.619 -99.200 -91.000 TYR 124 0.840 3.093 -23.778 33.405 -99.200 -91.000 PHE 139 1.000 -4.585 -17.989 33.438 -99.200 -91.000 PHE 142 1.000 -5.671 -17.181 29.369 -99.200 -91.000 TYR 157 0.840 3.190 -2.642 38.169 -99.200 -91.000 PHE 171 1.000 -0.649 -25.372 21.591 -99.200 -91.000 TRP 179 1.040 6.350 -6.900 36.491 -99.200 -91.000 TRP6 179 1.020 4.995 -6.644 34.584 -99.200 -91.000 PHE 185 1.000 3.210 -10.934 45.856 -99.200 -91.000 PHE 191 1.000 -1.738 -14.503 36.624 -99.200 -91.000 PHE 200 1.000 0.265 -28.154 37.111 -99.200 -91.000 PHE 201 1.000 -3.168 -21.109 40.195 -99.200 -91.000