============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 3 1.000 -16.584 -18.744 45.891 -99.200 -91.000 TYR 4 0.840 -18.295 -10.641 49.655 -99.200 -91.000 PHE 13 1.000 -20.361 -12.822 45.037 -99.200 -91.000 PHE 20 1.000 -29.613 -13.553 36.178 -99.200 -91.000 TYR 21 0.840 -32.014 -8.904 37.828 -99.200 -91.000 TYR 34 0.840 -35.682 -12.641 36.590 -99.200 -91.000 PHE 49 1.000 -29.321 -16.702 48.248 -99.200 -91.000 TYR 53 0.840 -24.665 -20.557 48.974 -99.200 -91.000 TRP 54 1.040 -21.388 -17.771 46.364 -99.200 -91.000 TRP6 54 1.020 -20.563 -19.990 46.250 -99.200 -91.000 TYR 60 0.840 -31.843 -12.828 51.035 -99.200 -91.000 HIS 66 0.900 -34.000 -18.920 58.550 -99.200 -91.000 HIS 73 0.900 -36.911 -18.235 43.188 -99.200 -91.000 PHE 76 1.000 -41.813 -14.941 40.083 -99.200 -91.000 PHE 86 1.000 -30.705 -18.284 37.613 -99.200 -91.000 HIS 91 0.900 -23.333 -21.661 32.708 -99.200 -91.000 HIS 106 0.900 -11.871 -19.569 44.735 -99.200 -91.000 TYR 113 0.840 -25.500 -21.707 45.092 -99.200 -91.000 HIS 119 0.900 -33.166 -30.213 38.322 -99.200 -91.000 PHE 126 1.000 -47.548 -26.855 31.173 -99.200 -91.000