============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 10.959 18.481 12.554 -99.200 -91.000 PHE 14 1.000 7.816 19.858 21.471 -99.200 -91.000 PHE 19 1.000 21.334 12.385 21.875 -99.200 -91.000 PHE 40 1.000 17.816 21.446 25.067 -99.200 -91.000 PHE 89 1.000 11.059 7.813 17.242 -99.200 -91.000 TYR 102 0.840 24.830 17.824 6.908 -99.200 -91.000 TRP 111 1.040 4.005 14.062 18.351 -99.200 -91.000 TRP6 111 1.020 5.552 14.796 16.743 -99.200 -91.000