============================================================================= 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. PHE 4 1.000 40.452 41.141 40.651 -99.200 -91.000 PHE 7 1.000 34.557 42.803 51.123 -99.200 -91.000 PHE 12 1.000 20.448 32.786 54.598 -99.200 -91.000 PHE 20 1.000 24.714 30.009 52.759 -99.200 -91.000 TRP 31 1.040 33.211 24.856 50.773 -99.200 -91.000 TRP6 31 1.020 34.268 26.847 51.512 -99.200 -91.000 PHE 42 1.000 33.904 31.330 53.585 -99.200 -91.000 TRP 47 1.040 27.539 42.526 66.309 -99.200 -91.000 TRP6 47 1.020 27.360 44.672 67.336 -99.200 -91.000 PHE 53 1.000 16.261 36.223 61.381 -99.200 -91.000 TYR 58 0.840 33.589 33.715 48.954 -99.200 -91.000 TYR 60 0.840 38.626 35.125 45.126 -99.200 -91.000 PHE 66 1.000 36.535 37.494 40.390 -99.200 -91.000 TYR 72 0.840 35.621 24.370 43.216 -99.200 -91.000 PHE 77 1.000 29.673 23.988 46.045 -99.200 -91.000 PHE 83 1.000 24.569 27.247 46.014 -99.200 -91.000 PHE 92 1.000 23.381 33.758 48.601 -99.200 -91.000