============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 11 1.000 1.175 -4.329 21.592 -99.200 -91.000 PHE 27 1.000 5.825 -1.884 25.494 -99.200 -91.000 TRP 31 1.040 16.705 -5.631 33.004 -99.200 -91.000 TRP6 31 1.020 16.935 -3.275 32.747 -99.200 -91.000 PHE 41 1.000 -0.545 5.143 40.653 -99.200 -91.000 PHE 42 1.000 -0.040 -0.545 34.048 -99.200 -91.000 HIS 43 0.900 -3.640 -5.571 39.963 -99.200 -91.000 TYR 49 0.840 -8.413 6.411 35.820 -99.200 -91.000 PHE 54 1.000 -5.195 0.835 33.237 -99.200 -91.000 PHE 75 1.000 4.214 3.166 32.911 -99.200 -91.000 PHE 77 1.000 -0.114 6.415 28.298 -99.200 -91.000 PHE 78 1.000 0.032 1.303 21.763 -99.200 -91.000 PHE 87 1.000 4.702 8.289 31.398 -99.200 -91.000