============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 7.184 19.516 18.798 -99.200 -91.000 PHE 29 1.000 8.899 25.554 21.014 -99.200 -91.000 PHE 32 1.000 11.388 17.747 16.117 -99.200 -91.000 TRP 33 1.040 15.777 25.600 12.633 -99.200 -91.000 TRP6 33 1.020 17.416 23.907 12.794 -99.200 -91.000 HIS 35 0.900 10.899 25.897 8.477 -99.200 -91.000 TRP 36 1.040 6.357 31.494 12.561 -99.200 -91.000 TRP6 36 1.020 4.276 31.972 13.578 -99.200 -91.000 TRP 47 1.040 10.488 29.784 4.974 -99.200 -91.000 TRP6 47 1.020 12.474 31.017 5.324 -99.200 -91.000 HIS 50 0.900 15.185 28.718 9.741 -99.200 -91.000 TYR 60 0.840 13.758 37.242 11.252 -99.200 -91.000 PHE 64 1.000 7.353 38.015 3.854 -99.200 -91.000 TYR 80 0.840 4.673 34.022 21.821 -99.200 -91.000 TYR 93 0.840 0.606 36.454 7.710 -99.200 -91.000 TYR 94 0.840 -1.662 27.993 6.482 -99.200 -91.000 TYR 99 0.840 15.718 15.801 13.454 -99.200 -91.000 TYR 102 0.840 23.342 19.637 6.233 -99.200 -91.000 TYR 108 0.840 3.543 15.582 12.652 -99.200 -91.000 TRP 109 1.040 2.623 22.041 7.055 -99.200 -91.000 TRP6 109 1.020 3.012 23.971 5.745 -99.200 -91.000 TYR 128 0.840 -32.425 39.818 7.411 -99.200 -91.000 TYR 151 0.840 -20.451 37.710 8.620 -99.200 -91.000 PHE 152 1.000 -14.976 44.280 9.131 -99.200 -91.000 TRP 160 1.040 -28.632 24.740 8.270 -99.200 -91.000 TRP6 160 1.020 -30.611 25.913 7.725 -99.200 -91.000 HIS 170 0.900 -24.999 21.879 -1.171 -99.200 -91.000 PHE 172 1.000 -24.388 28.118 -1.181 -99.200 -91.000 TYR 181 0.840 -16.175 39.746 5.379 -99.200 -91.000 TRP 194 1.040 -39.624 22.937 7.465 -99.200 -91.000 TRP6 194 1.020 -40.658 24.659 6.221 -99.200 -91.000 HIS 205 0.900 -19.709 38.737 13.769 -99.200 -91.000