============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.028 8.979 40.305 -99.200 -91.000 TYR 17 0.840 -1.112 12.265 43.097 -99.200 -91.000 PHE 18 1.000 -4.781 15.394 41.481 -99.200 -91.000 TRP 23 1.040 1.716 13.228 46.394 -99.200 -91.000 TRP6 23 1.020 1.866 10.976 47.095 -99.200 -91.000 TYR 24 0.840 8.212 16.065 51.257 -99.200 -91.000 TYR 28 0.840 16.473 13.357 39.333 -99.200 -91.000 TYR 40 0.840 16.330 20.457 40.102 -99.200 -91.000 TYR 58 0.840 11.468 24.079 46.697 -99.200 -91.000 HIS 59 0.900 10.822 22.167 39.315 -99.200 -91.000 TYR 60 0.840 17.774 24.990 46.768 -99.200 -91.000 PHE 68 1.000 12.286 26.265 38.629 -99.200 -91.000 TYR 69 0.840 8.238 27.783 46.317 -99.200 -91.000 TYR 82 0.840 -5.125 14.487 36.220 -99.200 -91.000 PHE 86 1.000 4.988 25.913 32.901 -99.200 -91.000 TYR 104 0.840 1.550 21.573 26.673 -99.200 -91.000 TYR 105 0.840 2.820 20.319 35.086 -99.200 -91.000 PHE 107 1.000 1.638 14.907 37.954 -99.200 -91.000 TYR 111 0.840 1.622 1.997 43.218 -99.200 -91.000 HIS 120 0.900 5.563 10.775 30.934 -99.200 -91.000 HIS 124 0.900 5.038 19.558 25.596 -99.200 -91.000 TYR 134 0.840 8.960 7.335 32.854 -99.200 -91.000 PHE 160 1.000 14.260 2.869 42.711 -99.200 -91.000 PHE 163 1.000 13.070 5.774 38.088 -99.200 -91.000 TYR 173 0.840 11.836 18.759 50.191 -99.200 -91.000