============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TRP 1 1.040 41.450 22.099 33.274 -99.200 -91.000 TRP6 1 1.020 39.633 21.115 32.102 -99.200 -91.000 HIS 2 0.900 38.573 24.376 29.340 -99.200 -91.000 PHE 4 1.000 47.744 18.880 28.714 -99.200 -91.000 PHE 7 1.000 45.265 20.781 19.618 -99.200 -91.000 TYR 11 0.840 49.191 13.713 27.446 -99.200 -91.000 TRP 14 1.040 56.205 13.450 23.860 -99.200 -91.000 TRP6 14 1.020 56.866 12.268 25.801 -99.200 -91.000 PHE 15 1.000 52.611 9.914 27.164 -99.200 -91.000 HIS 18 0.900 59.191 12.279 20.922 -99.200 -91.000 PHE 20 1.000 63.796 2.901 23.388 -99.200 -91.000 TYR 22 0.840 55.461 6.244 29.025 -99.200 -91.000 PHE 48 1.000 54.486 9.837 33.514 -99.200 -91.000 PHE 73 1.000 37.043 5.389 41.603 -99.200 -91.000 PHE 89 1.000 44.891 9.283 48.354 -99.200 -91.000 PHE 91 1.000 52.795 7.110 46.257 -99.200 -91.000 PHE 99 1.000 50.953 21.673 30.687 -99.200 -91.000 TYR 111 0.840 51.183 20.359 54.548 -99.200 -91.000 TYR 119 0.840 58.210 10.245 51.670 -99.200 -91.000 PHE 130 1.000 69.057 18.412 26.724 -99.200 -91.000 TYR 135 0.840 60.467 20.667 24.967 -99.200 -91.000 PHE 144 1.000 49.497 19.098 24.037 -99.200 -91.000 TYR 145 0.840 55.572 22.231 26.721 -99.200 -91.000 PHE 150 1.000 57.805 26.621 29.405 -99.200 -91.000 PHE 151 1.000 56.504 26.207 38.025 -99.200 -91.000 PHE 163 1.000 54.536 18.995 50.205 -99.200 -91.000 PHE 166 1.000 61.717 20.341 49.025 -99.200 -91.000 PHE 173 1.000 71.315 12.560 32.406 -99.200 -91.000 HIS 175 0.900 65.703 16.583 20.880 -99.200 -91.000 TYR 189 0.840 68.990 21.227 41.510 -99.200 -91.000 PHE 194 1.000 60.440 13.944 34.079 -99.200 -91.000