============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 7 0.900 -4.209 2.020 55.221 -99.200 -91.000 PHE 12 1.000 -4.592 3.355 43.230 -99.200 -91.000 HIS 15 0.900 0.993 -3.117 46.575 -99.200 -91.000 PHE 30 1.000 -11.852 3.380 44.355 -99.200 -91.000 TRP 34 1.040 -18.162 7.337 55.456 -99.200 -91.000 TRP6 34 1.020 -19.156 6.834 53.355 -99.200 -91.000 PHE 45 1.000 -11.974 -6.683 47.033 -99.200 -91.000 TYR 48 0.840 -15.721 -12.934 45.246 -99.200 -91.000 PHE 52 1.000 -11.224 -15.663 41.228 -99.200 -91.000 PHE 57 1.000 -8.892 -10.200 44.345 -99.200 -91.000 TYR 72 0.840 -9.012 4.904 39.234 -99.200 -91.000 PHE 80 1.000 -16.590 -4.324 45.278 -99.200 -91.000 PHE 82 1.000 -14.104 -6.032 38.388 -99.200 -91.000 HIS 100 0.900 -16.727 -16.571 41.063 -99.200 -91.000