============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 14 0.900 26.929 40.448 41.479 -99.200 -91.000 PHE 16 1.000 33.817 37.908 50.026 -99.200 -91.000 TYR 17 0.840 25.019 41.372 50.380 -99.200 -91.000 TYR 19 0.840 26.521 32.596 45.182 -99.200 -91.000 TYR 31 0.840 35.571 35.478 54.715 -99.200 -91.000 TYR 43 0.840 51.818 41.520 53.721 -99.200 -91.000 TRP 48 1.040 59.133 43.532 55.291 -99.200 -91.000 TRP6 48 1.020 58.003 42.005 53.876 -99.200 -91.000 PHE 53 1.000 62.772 48.272 57.018 -99.200 -91.000 TYR 56 0.840 58.029 49.031 57.357 -99.200 -91.000 HIS 78 0.900 30.583 48.533 38.003 -99.200 -91.000 TYR 79 0.840 33.961 46.692 40.771 -99.200 -91.000 TYR 85 0.840 33.672 41.645 27.995 -99.200 -91.000 TRP 93 1.040 33.965 39.722 34.814 -99.200 -91.000 TRP6 93 1.020 34.542 41.658 33.583 -99.200 -91.000 PHE 102 1.000 38.581 46.774 42.370 -99.200 -91.000 PHE 104 1.000 36.590 52.828 32.896 -99.200 -91.000 HIS 117 0.900 42.987 42.284 47.219 -99.200 -91.000 PHE 119 1.000 39.097 40.616 49.978 -99.200 -91.000 TYR 121 0.840 31.717 31.687 45.932 -99.200 -91.000 PHE 124 1.000 38.847 34.985 38.816 -99.200 -91.000 TYR 133 0.840 46.992 45.745 37.475 -99.200 -91.000 HIS 142 0.900 54.823 49.815 33.631 -99.200 -91.000 TYR 150 0.840 50.857 53.395 35.596 -99.200 -91.000 TYR 151 0.840 44.379 59.350 28.794 -99.200 -91.000 TYR 160 0.840 44.633 56.914 39.944 -99.200 -91.000 TYR 171 0.840 40.631 23.394 40.137 -99.200 -91.000 HIS 186 0.900 50.828 34.627 44.997 -99.200 -91.000 HIS 190 0.900 52.349 38.585 42.326 -99.200 -91.000 PHE 192 1.000 52.902 45.758 51.207 -99.200 -91.000 HIS 196 0.900 53.831 33.980 40.448 -99.200 -91.000 TYR 214 0.840 59.726 30.289 52.576 -99.200 -91.000 TYR 217 0.840 55.473 26.655 44.261 -99.200 -91.000 HIS 225 0.900 52.530 21.258 53.178 -99.200 -91.000 PHE 231 1.000 55.104 38.000 52.042 -99.200 -91.000 TYR 240 0.840 65.504 46.461 53.230 -99.200 -91.000 PHE 251 1.000 53.818 51.133 52.779 -99.200 -91.000