============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 3 0.840 6.891 31.881 61.381 -99.200 -91.000 TYR 4 0.840 4.885 27.466 59.255 -99.200 -91.000 PHE 12 1.000 -0.797 21.722 48.916 -99.200 -91.000 HIS 30 0.900 19.780 18.979 45.670 -99.200 -91.000 PHE 32 1.000 21.085 21.747 51.561 -99.200 -91.000 PHE 51 1.000 5.226 21.266 47.107 -99.200 -91.000 TYR 69 0.840 21.420 17.001 50.634 -99.200 -91.000 TYR 70 0.840 18.009 15.572 58.895 -99.200 -91.000 PHE 78 1.000 23.517 21.332 55.974 -99.200 -91.000 PHE 81 1.000 23.438 21.208 46.722 -99.200 -91.000 PHE 91 1.000 13.484 23.610 43.878 -99.200 -91.000 TRP 98 1.040 11.120 29.627 48.844 -99.200 -91.000 TRP6 98 1.020 11.177 28.618 46.706 -99.200 -91.000 HIS 140 0.900 23.334 36.254 48.784 -99.200 -91.000 TYR 151 0.840 0.161 42.032 46.369 -99.200 -91.000 TYR 154 0.840 2.076 37.217 42.057 -99.200 -91.000 HIS 160 0.900 13.847 31.497 44.286 -99.200 -91.000 PHE 162 1.000 15.951 38.579 36.169 -99.200 -91.000 TYR 164 0.840 15.717 27.017 35.249 -99.200 -91.000 TRP 167 1.040 22.551 26.069 37.758 -99.200 -91.000 TRP6 167 1.020 21.434 24.347 36.584 -99.200 -91.000 TYR 182 0.840 6.836 36.281 61.104 -99.200 -91.000 TYR 191 0.840 19.766 43.213 53.312 -99.200 -91.000 TYR 204 0.840 25.434 47.679 49.967 -99.200 -91.000 PHE 207 1.000 10.849 47.256 43.226 -99.200 -91.000 TYR 212 0.840 6.120 46.845 36.360 -99.200 -91.000 PHE 216 1.000 15.368 41.069 40.318 -99.200 -91.000 TYR 219 0.840 15.358 47.362 39.912 -99.200 -91.000