============================================================================= 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 12.769 -3.039 2.202 -99.200 -91.000 PHE 14 1.000 19.633 -2.547 8.842 -99.200 -91.000 PHE 19 1.000 10.028 9.207 9.989 -99.200 -91.000 PHE 40 1.000 12.500 1.451 16.262 -99.200 -91.000 PHE 89 1.000 17.378 7.693 0.818 -99.200 -91.000 TYR 102 0.840 -1.891 1.500 1.998 -99.200 -91.000 TRP 111 1.040 22.555 -0.182 2.154 -99.200 -91.000 TRP6 111 1.020 20.287 -0.665 1.806 -99.200 -91.000