============================================================================= 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 -5.005 9.130 40.184 -99.200 -91.000 TYR 17 0.840 -1.057 12.356 43.005 -99.200 -91.000 PHE 18 1.000 -4.731 15.455 41.358 -99.200 -91.000 TRP 23 1.040 1.754 13.293 46.291 -99.200 -91.000 TRP6 23 1.020 1.882 11.039 46.993 -99.200 -91.000 TYR 24 0.840 8.251 16.180 51.118 -99.200 -91.000 TYR 28 0.840 16.447 13.367 39.162 -99.200 -91.000 TYR 40 0.840 16.330 20.458 40.063 -99.200 -91.000 TYR 58 0.840 11.514 24.135 46.630 -99.200 -91.000 HIS 59 0.900 10.854 22.227 39.244 -99.200 -91.000 TYR 60 0.840 17.883 24.873 46.774 -99.200 -91.000 PHE 68 1.000 12.341 26.297 38.488 -99.200 -91.000 TYR 69 0.840 8.302 27.849 46.242 -99.200 -91.000 TYR 82 0.840 -5.210 14.549 36.160 -99.200 -91.000 PHE 86 1.000 5.005 25.899 32.877 -99.200 -91.000 TYR 104 0.840 1.646 21.595 26.558 -99.200 -91.000 TYR 105 0.840 2.917 20.309 34.898 -99.200 -91.000 PHE 107 1.000 1.524 14.975 37.877 -99.200 -91.000 TYR 111 0.840 1.688 2.100 43.194 -99.200 -91.000 HIS 120 0.900 5.552 10.741 30.836 -99.200 -91.000 HIS 124 0.900 5.228 19.632 25.274 -99.200 -91.000 TYR 134 0.840 8.988 7.374 32.756 -99.200 -91.000 PHE 160 1.000 14.292 2.940 42.535 -99.200 -91.000 PHE 163 1.000 13.066 5.892 37.936 -99.200 -91.000 TYR 173 0.840 12.014 19.223 49.650 -99.200 -91.000