============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 11 1.000 -3.189 50.324 2.575 -99.200 -91.000 PHE 16 1.000 6.945 56.577 12.250 -99.200 -91.000 HIS 22 0.900 10.897 64.687 3.153 -99.200 -91.000 PHE 39 1.000 6.087 66.858 13.726 -99.200 -91.000 TRP 47 1.040 4.474 61.851 19.968 -99.200 -91.000 TRP6 47 1.020 4.191 63.178 18.034 -99.200 -91.000 TYR 48 0.840 9.076 52.974 17.043 -99.200 -91.000 TYR 68 0.840 17.375 61.525 15.597 -99.200 -91.000 TYR 71 0.840 19.968 63.152 19.664 -99.200 -91.000 TRP 74 1.040 20.527 63.222 12.775 -99.200 -91.000 TRP6 74 1.020 19.801 65.137 13.964 -99.200 -91.000