============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 6 1.000 13.978 4.535 66.160 -99.200 -91.000 HIS 19 0.900 31.564 -3.895 61.375 -99.200 -91.000 PHE 27 1.000 26.644 8.836 59.698 -99.200 -91.000 TYR 29 0.840 33.761 11.365 51.813 -99.200 -91.000 TYR 31 0.840 38.774 10.192 55.838 -99.200 -91.000 TRP 38 1.040 30.460 4.157 55.531 -99.200 -91.000 TRP6 38 1.020 28.412 3.989 56.702 -99.200 -91.000 HIS 46 0.900 34.920 -0.630 60.976 -99.200 -91.000 TRP 53 1.040 48.923 1.514 75.323 -99.200 -91.000 TRP6 53 1.020 48.644 3.010 73.519 -99.200 -91.000 TYR 55 0.840 52.799 2.831 77.605 -99.200 -91.000 TRP 58 1.040 50.907 2.001 70.560 -99.200 -91.000 TRP6 58 1.020 50.430 3.243 68.607 -99.200 -91.000 PHE 63 1.000 63.258 2.336 68.402 -99.200 -91.000 TRP 81 1.040 65.785 4.552 79.847 -99.200 -91.000 TRP6 81 1.020 64.367 3.230 78.501 -99.200 -91.000 HIS 94 0.900 64.888 -7.622 77.356 -99.200 -91.000