============================================================================= 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. TYR 14 0.840 21.524 45.410 88.398 -99.200 -91.000 TYR 15 0.840 23.830 44.556 93.675 -99.200 -91.000 HIS 24 0.900 25.696 32.989 93.994 -99.200 -91.000 TYR 32 0.840 13.120 14.634 110.597 -99.200 -91.000 PHE 33 1.000 12.537 22.264 105.385 -99.200 -91.000 TYR 41 0.840 20.706 36.656 101.516 -99.200 -91.000 TYR 45 0.840 31.153 46.477 96.048 -99.200 -91.000 TYR 49 0.840 32.994 36.692 104.235 -99.200 -91.000 PHE 52 1.000 23.425 40.381 102.440 -99.200 -91.000 PHE 63 1.000 13.741 43.487 111.930 -99.200 -91.000 PHE 68 1.000 18.379 39.482 112.876 -99.200 -91.000 HIS 69 0.900 19.794 30.925 114.259 -99.200 -91.000 HIS 71 0.900 23.542 27.703 116.717 -99.200 -91.000 HIS 75 0.900 29.081 33.325 109.889 -99.200 -91.000 HIS 82 0.900 38.922 35.294 111.672 -99.200 -91.000 PHE 87 1.000 25.560 44.272 104.691 -99.200 -91.000 PHE 92 1.000 11.592 48.715 110.817 -99.200 -91.000 TYR 99 0.840 15.707 52.212 107.900 -99.200 -91.000 HIS 105 0.900 25.817 50.291 114.960 -99.200 -91.000 TRP 109 1.040 20.493 47.920 119.713 -99.200 -91.000 TRP6 109 1.020 18.759 48.687 121.129 -99.200 -91.000 TRP 110 1.040 20.106 38.276 119.277 -99.200 -91.000 TRP6 110 1.020 20.886 36.366 120.430 -99.200 -91.000 HIS 129 0.900 23.512 54.358 116.768 -99.200 -91.000 HIS 131 0.900 24.759 53.976 107.220 -99.200 -91.000 TYR 137 0.840 12.078 46.818 86.393 -99.200 -91.000 TYR 143 0.840 23.110 43.931 99.042 -99.200 -91.000 TYR 151 0.840 30.297 48.467 105.891 -99.200 -91.000 PHE 152 1.000 34.603 48.797 99.761 -99.200 -91.000