============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 3 1.000 16.198 -3.489 30.752 -99.200 -91.000 TYR 7 0.840 19.251 6.886 38.682 -99.200 -91.000 PHE 9 1.000 8.551 5.840 39.145 -99.200 -91.000 TYR 27 0.840 10.708 -9.962 30.733 -99.200 -91.000 TRP 36 1.040 6.572 7.593 31.417 -99.200 -91.000 TRP6 36 1.020 6.696 7.439 33.767 -99.200 -91.000 TRP 49 1.040 2.809 2.082 31.734 -99.200 -91.000 TRP6 49 1.020 3.829 1.791 29.621 -99.200 -91.000 TYR 54 0.840 14.811 6.808 37.783 -99.200 -91.000 HIS 58 0.900 20.037 -8.528 38.778 -99.200 -91.000