============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 60.281 -1.342 18.351 -99.200 -91.000 TYR 14 0.840 55.607 11.005 21.391 -99.200 -91.000 TYR 22 0.840 50.714 2.383 42.004 -99.200 -91.000 HIS 23 0.900 53.690 3.413 34.155 -99.200 -91.000 PHE 24 1.000 48.351 6.568 37.849 -99.200 -91.000 TRP 34 1.040 47.710 22.910 29.688 -99.200 -91.000 TRP6 34 1.020 45.778 22.411 30.913 -99.200 -91.000 HIS 40 0.900 41.495 3.633 31.176 -99.200 -91.000 TYR 42 0.840 40.530 12.141 38.854 -99.200 -91.000 PHE 64 1.000 61.051 11.641 39.026 -99.200 -91.000 HIS 73 0.900 34.464 15.109 26.878 -99.200 -91.000 TYR 76 0.840 35.512 8.118 31.815 -99.200 -91.000 TRP 121 1.040 58.123 2.668 30.958 -99.200 -91.000 TRP6 121 1.020 57.540 4.891 30.457 -99.200 -91.000 TYR 131 0.840 52.614 -4.971 34.859 -99.200 -91.000 TYR 152 0.840 36.880 -5.292 20.846 -99.200 -91.000 PHE 161 1.000 42.618 5.063 16.620 -99.200 -91.000 TYR 165 0.840 50.196 -5.934 13.966 -99.200 -91.000 TRP 193 1.040 37.550 0.116 25.077 -99.200 -91.000 TRP6 193 1.020 36.462 -1.727 24.152 -99.200 -91.000 TYR 206 0.840 44.885 1.735 20.548 -99.200 -91.000 TYR 212 0.840 37.179 13.272 22.368 -99.200 -91.000 TRP 215 1.040 36.699 19.360 25.989 -99.200 -91.000 TRP6 215 1.020 38.247 17.988 27.098 -99.200 -91.000