============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 19.410 13.200 24.675 -99.200 -91.000 TYR 32 0.840 13.874 8.440 28.635 -99.200 -91.000 PHE 34 1.000 17.001 8.909 22.959 -99.200 -91.000 TRP 36 1.040 18.419 6.855 14.688 -99.200 -91.000 TRP6 36 1.020 16.917 8.411 13.739 -99.200 -91.000 TRP 47 1.040 18.112 -2.793 16.735 -99.200 -91.000 TRP6 47 1.020 20.444 -3.082 16.956 -99.200 -91.000 HIS 59 0.900 27.051 -1.365 21.372 -99.200 -91.000 TYR 60 0.840 26.625 2.214 14.301 -99.200 -91.000 HIS 63 0.900 24.325 -8.451 6.838 -99.200 -91.000 TYR 80 0.840 21.717 15.534 15.549 -99.200 -91.000 TYR 94 0.840 16.250 5.376 6.719 -99.200 -91.000 PHE 95 1.000 8.673 4.560 11.564 -99.200 -91.000 TYR 100 0.840 13.833 5.877 33.402 -99.200 -91.000 TYR 109 0.840 22.118 2.703 30.396 -99.200 -91.000 PHE 113 1.000 11.513 -2.449 27.093 -99.200 -91.000 HIS 116 0.900 8.823 6.865 25.927 -99.200 -91.000 TRP 117 1.040 8.315 2.949 18.726 -99.200 -91.000 TRP6 117 1.020 9.397 1.871 16.924 -99.200 -91.000 PHE 136 1.000 -2.457 11.648 -18.836 -99.200 -91.000 TYR 154 0.840 3.024 10.559 -7.716 -99.200 -91.000 PHE 155 1.000 11.652 11.741 -7.266 -99.200 -91.000 TRP 163 1.040 -12.268 10.980 -6.540 -99.200 -91.000 TRP6 163 1.020 -12.602 11.096 -8.885 -99.200 -91.000 HIS 173 0.900 -12.686 1.384 -3.314 -99.200 -91.000 PHE 175 1.000 -7.024 0.921 -6.741 -99.200 -91.000 TYR 185 0.840 7.422 7.074 -6.216 -99.200 -91.000 TYR 203 0.840 -19.992 12.222 -10.130 -99.200 -91.000 HIS 209 0.900 4.165 15.828 -6.474 -99.200 -91.000