============================================================================= 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. PHE 27 1.000 106.159 44.414 144.327 -99.200 -91.000 TYR 30 0.840 113.128 40.490 138.724 -99.200 -91.000 PHE 32 1.000 110.079 46.265 140.995 -99.200 -91.000 TRP 34 1.040 110.191 55.331 140.540 -99.200 -91.000 TRP6 34 1.020 110.013 53.622 142.163 -99.200 -91.000 HIS 41 0.900 119.674 69.206 129.330 -99.200 -91.000 TRP 45 1.040 119.348 55.265 141.738 -99.200 -91.000 TRP6 45 1.020 120.061 55.663 143.955 -99.200 -91.000 PHE 53 1.000 116.610 40.738 149.917 -99.200 -91.000 TYR 58 0.840 116.547 59.434 150.511 -99.200 -91.000 PHE 62 1.000 116.329 63.631 143.288 -99.200 -91.000 PHE 68 1.000 112.420 55.961 146.295 -99.200 -91.000 TYR 78 0.840 101.846 52.627 144.107 -99.200 -91.000 TYR 92 0.840 110.143 62.381 137.722 -99.200 -91.000 TYR 93 0.840 112.846 56.841 130.953 -99.200 -91.000 PHE 98 1.000 118.740 40.498 137.341 -99.200 -91.000 TRP 102 1.040 126.307 32.542 144.636 -99.200 -91.000 TRP6 102 1.020 126.483 31.908 142.360 -99.200 -91.000 TYR 108 0.840 131.904 34.495 146.439 -99.200 -91.000 PHE 115 1.000 122.781 44.023 136.181 -99.200 -91.000 PHE 117 1.000 111.009 45.581 130.784 -99.200 -91.000 TRP 118 1.040 116.322 50.898 131.758 -99.200 -91.000 TRP6 118 1.020 116.966 52.968 132.692 -99.200 -91.000 PHE 137 1.000 91.654 70.791 113.374 -99.200 -91.000 TYR 160 0.840 99.754 68.200 122.382 -99.200 -91.000 PHE 161 1.000 100.684 72.764 129.592 -99.200 -91.000 TRP 169 1.040 100.020 57.276 111.333 -99.200 -91.000 TRP6 169 1.020 98.362 58.410 110.087 -99.200 -91.000 HIS 179 0.900 109.907 60.031 109.011 -99.200 -91.000 PHE 181 1.000 107.725 65.922 111.019 -99.200 -91.000 TYR 191 0.840 104.147 71.785 124.669 -99.200 -91.000 TYR 209 0.840 96.619 54.440 104.221 -99.200 -91.000 HIS 215 0.900 96.814 65.789 126.196 -99.200 -91.000