============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 2 0.840 20.775 76.740 59.225 -99.200 -91.000 HIS 9 0.900 39.008 74.588 79.739 -99.200 -91.000 TRP 14 1.040 48.838 73.252 84.940 -99.200 -91.000 TRP6 14 1.020 50.376 73.119 83.136 -99.200 -91.000 PHE 20 1.000 51.195 82.698 80.551 -99.200 -91.000 TRP 23 1.040 48.119 72.980 71.071 -99.200 -91.000 TRP6 23 1.020 48.523 71.726 69.128 -99.200 -91.000 TYR 48 0.840 19.179 75.765 73.795 -99.200 -91.000 PHE 50 1.000 23.605 70.743 72.112 -99.200 -91.000 TYR 54 0.840 31.808 69.203 64.540 -99.200 -91.000 TRP 66 1.040 33.475 61.986 77.654 -99.200 -91.000 TRP6 66 1.020 35.087 60.563 78.683 -99.200 -91.000 HIS 67 0.900 31.420 65.776 84.323 -99.200 -91.000 TYR 76 0.840 21.622 59.283 71.808 -99.200 -91.000 HIS 81 0.900 36.454 62.783 70.267 -99.200 -91.000 TRP 83 1.040 44.738 68.544 63.953 -99.200 -91.000 TRP6 83 1.020 45.921 70.465 63.290 -99.200 -91.000 HIS 89 0.900 52.263 75.058 71.310 -99.200 -91.000 TYR 90 0.840 49.302 81.357 76.320 -99.200 -91.000 TYR 105 0.840 60.461 86.787 80.816 -99.200 -91.000 TRP 113 1.040 55.431 87.210 74.922 -99.200 -91.000 TRP6 113 1.020 56.677 87.015 76.929 -99.200 -91.000 TYR 117 0.840 44.311 88.419 64.727 -99.200 -91.000 TYR 133 0.840 57.567 68.624 66.051 -99.200 -91.000 TYR 138 0.840 48.539 66.888 68.865 -99.200 -91.000 TRP 163 1.040 32.519 77.836 59.906 -99.200 -91.000 TRP6 163 1.020 30.771 77.630 61.466 -99.200 -91.000 HIS 182 0.900 40.679 73.558 74.805 -99.200 -91.000 TYR 192 0.840 34.448 82.588 59.534 -99.200 -91.000 TYR 214 0.840 27.763 83.559 68.258 -99.200 -91.000 HIS 225 0.900 26.839 87.493 70.566 -99.200 -91.000 TYR 226 0.840 20.313 83.557 73.042 -99.200 -91.000 TYR 227 0.840 28.539 84.250 77.582 -99.200 -91.000