============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 17 1.000 24.022 -18.630 17.853 -99.200 -91.000 TYR 34 0.840 26.057 -29.446 23.571 -99.200 -91.000 TYR 36 0.840 19.262 -25.663 31.592 -99.200 -91.000 PHE 37 1.000 18.445 -23.280 25.028 -99.200 -91.000 PHE 45 1.000 14.533 -24.613 15.016 -99.200 -91.000 TRP 52 1.040 8.428 -14.915 14.409 -99.200 -91.000 TRP6 52 1.020 8.442 -17.260 14.032 -99.200 -91.000 PHE 81 1.000 6.851 -5.811 9.670 -99.200 -91.000 TYR 102 0.840 12.306 -23.790 10.881 -99.200 -91.000 PHE 115 1.000 -2.425 -1.428 9.508 -99.200 -91.000 PHE 118 1.000 -3.802 2.452 12.977 -99.200 -91.000 PHE 149 1.000 16.015 -1.660 4.479 -99.200 -91.000 TYR 162 0.840 13.525 0.626 2.088 -99.200 -91.000 TYR 172 0.840 -3.848 3.084 0.353 -99.200 -91.000