============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 14 1.000 -21.924 58.520 111.834 -99.200 -91.000 PHE 18 1.000 -14.593 60.772 109.614 -99.200 -91.000 PHE 38 1.000 -34.384 48.446 118.207 -99.200 -91.000 TYR 48 0.840 -22.675 53.951 108.328 -99.200 -91.000 PHE 72 1.000 -14.874 57.605 105.712 -99.200 -91.000 TYR 74 0.840 -14.044 64.016 106.010 -99.200 -91.000 HIS 82 0.900 -22.677 56.627 103.579 -99.200 -91.000 PHE 84 1.000 -27.355 53.958 109.699 -99.200 -91.000 PHE 90 1.000 -47.849 50.601 118.723 -99.200 -91.000 TRP 100 1.040 -39.016 42.513 112.289 -99.200 -91.000 TRP6 100 1.020 -39.842 44.701 112.318 -99.200 -91.000 PHE 117 1.000 -19.730 60.365 106.688 -99.200 -91.000