============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 5 1.000 19.937 33.117 34.822 -99.200 -91.000 TYR 21 0.840 18.986 24.521 35.482 -99.200 -91.000 TYR 24 0.840 13.594 21.170 37.675 -99.200 -91.000 TYR 27 0.840 6.923 30.311 40.391 -99.200 -91.000 TRP 30 1.040 11.484 34.356 32.352 -99.200 -91.000 TRP6 30 1.020 13.225 34.051 30.812 -99.200 -91.000 PHE 45 1.000 8.701 32.649 44.601 -99.200 -91.000 HIS 47 0.900 16.713 34.952 37.581 -99.200 -91.000 TYR 51 0.840 16.176 38.714 35.637 -99.200 -91.000 TYR 64 0.840 25.221 40.168 33.809 -99.200 -91.000 TYR 66 0.840 29.974 36.057 34.451 -99.200 -91.000 PHE 96 1.000 19.122 27.605 38.305 -99.200 -91.000 TYR 103 0.840 17.733 18.948 36.742 -99.200 -91.000 TYR 107 0.840 9.262 17.979 40.204 -99.200 -91.000 TYR 110 0.840 5.003 20.211 36.998 -99.200 -91.000 PHE 113 1.000 -4.338 22.385 33.357 -99.200 -91.000