============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 2 0.840 11.050 53.747 36.819 -99.200 -91.000 PHE 10 1.000 12.014 43.887 18.989 -99.200 -91.000 PHE 14 1.000 20.879 58.817 16.479 -99.200 -91.000 PHE 26 1.000 20.172 49.008 17.571 -99.200 -91.000 PHE 41 1.000 41.836 53.135 32.754 -99.200 -91.000 HIS 48 0.900 51.743 65.542 28.347 -99.200 -91.000 PHE 50 1.000 50.060 62.177 24.742 -99.200 -91.000 HIS 79 0.900 17.243 61.997 9.827 -99.200 -91.000 TYR 82 0.840 22.893 63.828 12.747 -99.200 -91.000 PHE 85 1.000 33.098 60.223 9.701 -99.200 -91.000 TRP 96 1.040 47.008 65.281 14.633 -99.200 -91.000 TRP6 96 1.020 44.871 64.738 15.521 -99.200 -91.000 TYR 100 0.840 52.163 62.395 17.812 -99.200 -91.000 PHE 110 1.000 55.646 41.335 13.010 -99.200 -91.000 HIS 123 0.900 51.119 49.263 21.730 -99.200 -91.000 PHE 124 1.000 41.608 46.895 26.013 -99.200 -91.000 PHE 152 1.000 38.311 58.884 12.686 -99.200 -91.000 TYR 159 0.840 46.465 59.539 16.980 -99.200 -91.000 PHE 161 1.000 52.470 50.215 15.947 -99.200 -91.000 TYR 166 0.840 55.133 61.999 21.062 -99.200 -91.000 TYR 178 0.840 57.630 36.879 17.130 -99.200 -91.000