============================================================================= 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. TYR 4 0.840 55.466 65.913 13.170 -99.200 -91.000 HIS 5 0.900 48.852 65.738 14.567 -99.200 -91.000 TRP 22 1.040 51.971 84.519 12.712 -99.200 -91.000 TRP6 22 1.020 49.706 84.302 12.126 -99.200 -91.000 PHE 24 1.000 46.879 77.245 20.005 -99.200 -91.000 PHE 32 1.000 50.477 59.541 -3.235 -99.200 -91.000 HIS 40 0.900 53.642 71.746 -7.746 -99.200 -91.000 HIS 43 0.900 41.970 74.954 -4.693 -99.200 -91.000 TYR 46 0.840 48.818 75.234 0.801 -99.200 -91.000 TRP 49 1.040 47.138 71.139 5.694 -99.200 -91.000 TRP6 49 1.020 48.987 71.811 4.399 -99.200 -91.000 TYR 50 0.840 45.536 78.262 6.444 -99.200 -91.000 PHE 53 1.000 45.790 77.362 14.821 -99.200 -91.000 PHE 57 1.000 43.030 80.422 18.286 -99.200 -91.000 HIS 62 0.900 39.237 79.541 28.209 -99.200 -91.000 TYR 66 0.840 34.522 72.402 19.255 -99.200 -91.000 HIS 79 0.900 42.793 85.742 2.559 -99.200 -91.000 TYR 82 0.840 46.268 78.682 -2.491 -99.200 -91.000 TYR 90 0.840 51.676 71.305 7.383 -99.200 -91.000 PHE 99 1.000 36.949 90.638 20.562 -99.200 -91.000 PHE 104 1.000 35.603 83.492 15.926 -99.200 -91.000 PHE 107 1.000 43.071 80.388 10.290 -99.200 -91.000 TRP 110 1.040 54.520 80.441 9.793 -99.200 -91.000 TRP6 110 1.020 55.627 82.382 9.065 -99.200 -91.000 TYR 137 0.840 26.145 80.682 22.198 -99.200 -91.000 PHE 147 1.000 38.236 85.366 20.493 -99.200 -91.000