============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 9 1.040 18.974 19.325 8.039 -99.200 -91.000 TRP6 9 1.020 16.628 19.342 8.325 -99.200 -91.000 TRP 21 1.040 32.793 12.299 2.243 -99.200 -91.000 TRP6 21 1.020 30.720 12.617 1.142 -99.200 -91.000 PHE 28 1.000 24.593 16.669 8.373 -99.200 -91.000 HIS 35 0.900 14.055 16.210 17.732 -99.200 -91.000 PHE 40 1.000 19.018 8.123 6.840 -99.200 -91.000 TYR 46 0.840 30.451 9.348 13.493 -99.200 -91.000 PHE 59 1.000 22.606 4.963 9.640 -99.200 -91.000 HIS 68 0.900 5.407 3.706 14.237 -99.200 -91.000 TYR 73 0.840 12.995 0.297 12.178 -99.200 -91.000 PHE 74 1.000 17.122 0.211 2.091 -99.200 -91.000 TYR 80 0.840 23.159 -3.880 12.185 -99.200 -91.000 TYR 81 0.840 26.065 -6.100 1.710 -99.200 -91.000 TYR 86 0.840 26.386 -11.519 4.870 -99.200 -91.000 TYR 108 0.840 11.228 7.890 3.757 -99.200 -91.000 PHE 115 1.000 15.842 5.657 -1.494 -99.200 -91.000 PHE 118 1.000 9.671 2.698 -5.815 -99.200 -91.000 TYR 124 0.840 17.369 -6.218 -6.201 -99.200 -91.000 PHE 128 1.000 23.340 -8.774 -1.820 -99.200 -91.000 TYR 130 0.840 16.481 -14.839 4.039 -99.200 -91.000 TRP 136 1.040 21.830 -20.165 -3.385 -99.200 -91.000 TRP6 136 1.020 22.349 -18.093 -4.398 -99.200 -91.000 HIS 155 0.900 10.515 -0.659 -8.899 -99.200 -91.000 TRP 166 1.040 14.699 -18.852 -11.825 -99.200 -91.000 TRP6 166 1.020 13.963 -17.859 -13.838 -99.200 -91.000 TYR 171 0.840 20.029 -10.115 -6.227 -99.200 -91.000 PHE 182 1.000 15.647 11.790 6.257 -99.200 -91.000