============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 6 1.040 12.052 42.626 0.731 -99.200 -91.000 TRP6 6 1.020 11.856 43.491 2.925 -99.200 -91.000 TRP 42 1.040 14.654 4.056 -7.519 -99.200 -91.000 TRP6 42 1.020 14.015 3.632 -5.282 -99.200 -91.000 PHE 53 1.000 14.473 12.005 10.468 -99.200 -91.000 TYR 59 0.840 15.642 8.699 -9.701 -99.200 -91.000 HIS 69 0.900 23.429 30.874 -13.522 -99.200 -91.000 PHE 99 1.000 24.263 38.699 6.947 -99.200 -91.000