============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 12 0.900 19.596 14.137 37.151 -99.200 -91.000 PHE 20 1.000 8.317 25.433 41.350 -99.200 -91.000 PHE 27 1.000 2.324 25.630 41.338 -99.200 -91.000 TRP 29 1.040 1.243 28.399 34.559 -99.200 -91.000 TRP6 29 1.020 1.122 27.399 32.419 -99.200 -91.000 TYR 38 0.840 6.647 28.607 36.770 -99.200 -91.000 TYR 47 0.840 20.636 22.781 41.892 -99.200 -91.000 HIS 65 0.900 16.455 13.276 16.991 -99.200 -91.000 PHE 66 1.000 16.945 19.154 14.815 -99.200 -91.000 HIS 79 0.900 20.829 24.510 30.065 -99.200 -91.000 TRP 82 1.040 26.876 26.215 30.249 -99.200 -91.000 TRP6 82 1.020 24.990 26.590 31.609 -99.200 -91.000 TYR 93 0.840 21.462 37.217 22.895 -99.200 -91.000 PHE 142 1.000 8.897 19.063 31.435 -99.200 -91.000 TYR 144 0.840 4.485 23.326 30.913 -99.200 -91.000 TYR 161 0.840 13.646 15.422 17.194 -99.200 -91.000 TYR 166 0.840 1.694 17.211 31.974 -99.200 -91.000 TRP 190 1.040 -3.213 22.090 32.830 -99.200 -91.000 TRP6 190 1.020 -1.044 22.064 31.868 -99.200 -91.000 TRP 199 1.040 -7.028 21.683 35.191 -99.200 -91.000 TRP6 199 1.020 -5.655 21.644 37.107 -99.200 -91.000