============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 7 0.840 51.519 55.225 30.808 -99.200 -91.000 TYR 12 0.840 43.820 65.888 37.285 -99.200 -91.000 PHE 35 1.000 46.971 57.380 19.278 -99.200 -91.000 TYR 38 0.840 41.512 61.425 21.460 -99.200 -91.000 TYR 44 0.840 32.650 67.059 33.788 -99.200 -91.000 TYR 60 0.840 35.319 71.322 26.686 -99.200 -91.000 TYR 77 0.840 51.222 61.639 8.771 -99.200 -91.000 HIS 85 0.900 31.996 66.641 24.844 -99.200 -91.000 TYR 98 0.840 47.574 61.914 12.401 -99.200 -91.000 TYR 104 0.840 50.641 57.782 11.487 -99.200 -91.000 PHE 121 1.000 37.654 68.336 33.790 -99.200 -91.000 PHE 133 1.000 41.228 58.548 30.654 -99.200 -91.000 PHE 149 1.000 39.669 53.382 16.187 -99.200 -91.000 TRP 151 1.040 50.712 52.095 10.924 -99.200 -91.000 TRP6 151 1.020 52.798 53.234 10.848 -99.200 -91.000 TYR 152 0.840 48.651 48.040 9.437 -99.200 -91.000 TYR 160 0.840 44.918 50.630 25.474 -99.200 -91.000 PHE 161 1.000 48.749 49.815 32.860 -99.200 -91.000