============================================================================= 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. HIS 4 0.900 27.540 24.767 19.373 -99.200 -91.000 PHE 6 1.000 33.963 21.221 12.609 -99.200 -91.000 PHE 44 1.000 41.860 24.111 4.937 -99.200 -91.000 PHE 46 1.000 42.967 19.699 3.015 -99.200 -91.000 PHE 51 1.000 38.795 21.891 14.180 -99.200 -91.000 PHE 53 1.000 43.231 24.824 19.936 -99.200 -91.000 TYR 61 0.840 48.974 19.642 13.766 -99.200 -91.000 TRP 62 1.040 42.151 23.360 9.517 -99.200 -91.000 TRP6 62 1.020 43.895 24.910 9.931 -99.200 -91.000 TYR 63 0.840 44.592 15.761 10.629 -99.200 -91.000 PHE 65 1.000 43.498 11.948 7.234 -99.200 -91.000 PHE 76 1.000 46.005 9.972 26.191 -99.200 -91.000 HIS 78 0.900 46.746 15.814 29.427 -99.200 -91.000 PHE 80 1.000 48.568 16.838 19.943 -99.200 -91.000 TYR 83 0.840 37.202 20.552 18.431 -99.200 -91.000 TYR 88 0.840 32.416 15.895 4.654 -99.200 -91.000