============================================================================= 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 23.033 -11.209 10.813 -99.200 -91.000 PHE 14 1.000 30.534 -12.878 5.157 -99.200 -91.000 PHE 19 1.000 35.129 -6.137 18.183 -99.200 -91.000 PHE 40 1.000 36.716 -15.168 13.372 -99.200 -91.000 PHE 89 1.000 28.149 -0.762 9.856 -99.200 -91.000 TYR 102 0.840 21.631 -11.017 25.857 -99.200 -91.000 TRP 111 1.040 26.658 -6.716 2.602 -99.200 -91.000 TRP6 111 1.020 25.550 -7.452 4.556 -99.200 -91.000