============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 5 0.840 11.093 60.142 26.499 -99.200 -91.000 TYR 16 0.840 10.552 31.136 38.937 -99.200 -91.000 PHE 19 1.000 17.542 33.745 33.280 -99.200 -91.000 PHE 29 1.000 20.054 50.223 55.780 -99.200 -91.000 TYR 30 0.840 19.517 55.380 48.523 -99.200 -91.000 TYR 36 0.840 25.787 51.774 46.033 -99.200 -91.000 TYR 47 0.840 20.542 31.131 25.710 -99.200 -91.000 PHE 48 1.000 21.250 38.037 30.548 -99.200 -91.000 PHE 51 1.000 20.253 43.988 29.843 -99.200 -91.000 HIS 68 0.900 11.818 54.466 35.679 -99.200 -91.000 PHE 72 1.000 19.843 51.519 36.428 -99.200 -91.000 PHE 82 1.000 21.524 55.406 29.782 -99.200 -91.000 PHE 104 1.000 30.580 51.536 36.853 -99.200 -91.000 TRP 105 1.040 20.709 53.188 40.591 -99.200 -91.000 TRP6 105 1.020 20.619 53.217 42.966 -99.200 -91.000 TYR 128 0.840 2.678 43.483 32.006 -99.200 -91.000 PHE 129 1.000 10.919 46.020 34.621 -99.200 -91.000