============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 5 0.840 36.205 22.151 61.845 -99.200 -91.000 PHE 12 1.000 45.621 19.710 53.328 -99.200 -91.000 HIS 16 0.900 56.364 26.317 44.427 -99.200 -91.000 TYR 29 0.840 56.212 19.105 25.830 -99.200 -91.000 PHE 34 1.000 56.331 16.052 21.542 -99.200 -91.000 TYR 37 0.840 66.082 12.095 24.834 -99.200 -91.000 TYR 49 0.840 81.673 33.331 20.728 -99.200 -91.000 PHE 52 1.000 72.034 30.975 20.902 -99.200 -91.000 PHE 64 1.000 73.817 34.252 36.473 -99.200 -91.000 TYR 65 0.840 81.122 33.481 30.162 -99.200 -91.000 PHE 72 1.000 97.646 33.211 50.148 -99.200 -91.000 HIS 87 0.900 68.705 31.763 24.895 -99.200 -91.000 TRP 92 1.040 65.610 21.035 22.848 -99.200 -91.000 TRP6 92 1.020 65.193 18.854 23.610 -99.200 -91.000 PHE 93 1.000 71.003 24.288 17.403 -99.200 -91.000 PHE 107 1.000 65.687 12.206 16.575 -99.200 -91.000 PHE 110 1.000 58.662 15.167 27.935 -99.200 -91.000 PHE 116 1.000 70.625 28.026 36.898 -99.200 -91.000 HIS 126 0.900 61.975 40.954 33.832 -99.200 -91.000 TYR 130 0.840 65.048 31.306 33.035 -99.200 -91.000 HIS 131 0.900 62.017 25.631 37.589 -99.200 -91.000 PHE 158 1.000 49.206 22.723 30.872 -99.200 -91.000 PHE 160 1.000 46.220 29.035 27.983 -99.200 -91.000 PHE 163 1.000 45.511 27.019 21.199 -99.200 -91.000 PHE 165 1.000 49.683 28.818 16.071 -99.200 -91.000 TYR 174 0.840 67.837 30.395 18.180 -99.200 -91.000 TYR 175 0.840 63.811 29.445 16.554 -99.200 -91.000 TYR 184 0.840 50.582 37.028 21.450 -99.200 -91.000 TYR 186 0.840 39.523 33.864 24.911 -99.200 -91.000 HIS 187 0.900 42.209 29.538 30.806 -99.200 -91.000 TRP 193 1.040 42.764 36.442 21.982 -99.200 -91.000 TRP6 193 1.020 43.227 34.469 20.789 -99.200 -91.000 PHE 199 1.000 55.412 27.648 16.189 -99.200 -91.000 TYR 202 0.840 66.568 24.410 17.052 -99.200 -91.000 TYR 210 0.840 75.871 22.261 17.573 -99.200 -91.000 PHE 233 1.000 50.432 31.651 42.509 -99.200 -91.000 TYR 241 0.840 62.746 31.605 44.995 -99.200 -91.000 PHE 244 1.000 63.106 33.700 50.810 -99.200 -91.000 TYR 245 0.840 57.801 37.967 48.510 -99.200 -91.000 HIS 247 0.900 52.151 31.756 56.333 -99.200 -91.000 TYR 270 0.840 36.019 20.316 79.499 -99.200 -91.000 TYR 290 0.840 29.862 33.759 62.771 -99.200 -91.000 TYR 292 0.840 33.160 39.323 56.110 -99.200 -91.000 PHE 302 1.000 29.350 47.611 63.112 -99.200 -91.000 PHE 305 1.000 32.294 44.213 60.040 -99.200 -91.000 TYR 320 0.840 29.886 37.678 73.186 -99.200 -91.000 PHE 326 1.000 34.720 25.136 79.051 -99.200 -91.000