============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 21 0.900 52.302 21.165 33.639 -99.200 -91.000 PHE 28 1.000 50.849 28.580 45.346 -99.200 -91.000 TYR 30 0.840 54.501 20.493 43.938 -99.200 -91.000 TYR 31 0.840 56.910 18.549 35.836 -99.200 -91.000 TYR 40 0.840 44.925 26.608 46.871 -99.200 -91.000 TYR 44 0.840 40.996 26.699 43.312 -99.200 -91.000 PHE 82 1.000 48.528 28.472 28.562 -99.200 -91.000 PHE 84 1.000 42.048 25.408 32.687 -99.200 -91.000 PHE 101 1.000 45.359 37.381 34.963 -99.200 -91.000 PHE 106 1.000 48.060 31.027 48.825 -99.200 -91.000 PHE 123 1.000 62.986 43.004 49.335 -99.200 -91.000 HIS 162 0.900 58.892 30.784 40.288 -99.200 -91.000 PHE 166 1.000 66.659 26.394 47.085 -99.200 -91.000 PHE 177 1.000 63.768 32.530 44.017 -99.200 -91.000 TRP 197 1.040 68.234 26.947 51.893 -99.200 -91.000 TRP6 197 1.020 70.042 28.217 51.078 -99.200 -91.000 TYR 209 0.840 50.067 33.089 43.297 -99.200 -91.000 PHE 220 1.000 37.532 27.764 29.386 -99.200 -91.000 TRP 240 1.040 40.682 21.186 47.227 -99.200 -91.000 TRP6 240 1.020 40.164 22.217 45.169 -99.200 -91.000 PHE 241 1.000 46.250 27.487 53.586 -99.200 -91.000 TRP 244 1.040 47.560 20.683 47.591 -99.200 -91.000 TRP6 244 1.020 49.171 19.215 46.722 -99.200 -91.000 PHE 245 1.000 49.580 26.702 50.398 -99.200 -91.000 PHE 258 1.000 53.603 29.821 53.719 -99.200 -91.000 PHE 268 1.000 39.664 29.922 50.434 -99.200 -91.000