============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 11 0.840 -0.277 25.973 37.055 -99.200 -91.000 PHE 12 1.000 3.317 33.749 34.335 -99.200 -91.000 TYR 17 0.840 0.579 36.360 38.163 -99.200 -91.000 TYR 18 0.840 -4.202 28.845 34.959 -99.200 -91.000 PHE 20 1.000 -7.346 27.327 29.975 -99.200 -91.000 TRP 24 1.040 -13.183 29.757 23.897 -99.200 -91.000 TRP6 24 1.020 -14.071 31.942 24.005 -99.200 -91.000 TRP 32 1.040 -7.148 24.179 15.322 -99.200 -91.000 TRP6 32 1.020 -6.029 24.302 17.407 -99.200 -91.000 TRP 33 1.040 0.743 25.989 15.984 -99.200 -91.000 TRP6 33 1.020 1.063 23.645 15.897 -99.200 -91.000 TYR 37 0.840 6.530 32.581 23.631 -99.200 -91.000 HIS 38 0.900 7.338 32.221 32.167 -99.200 -91.000 TRP 46 1.040 -1.329 34.545 23.134 -99.200 -91.000 TRP6 46 1.020 -1.298 35.198 25.428 -99.200 -91.000 TRP 48 1.040 -3.370 34.621 16.451 -99.200 -91.000 TRP6 48 1.020 -2.478 36.259 17.924 -99.200 -91.000 TRP 50 1.040 -6.980 30.614 16.253 -99.200 -91.000 TRP6 50 1.020 -8.225 28.599 16.393 -99.200 -91.000 TYR 60 0.840 -9.202 35.969 26.850 -99.200 -91.000 TRP 67 1.040 -13.526 29.752 38.988 -99.200 -91.000 TRP6 67 1.020 -14.700 30.722 37.155 -99.200 -91.000 HIS 68 0.900 -11.031 30.653 32.159 -99.200 -91.000 TRP 69 1.040 -16.333 28.131 33.433 -99.200 -91.000 TRP6 69 1.020 -15.904 30.342 32.677 -99.200 -91.000 TYR 73 0.840 -11.452 31.329 43.894 -99.200 -91.000 PHE 79 1.000 -7.949 38.100 41.719 -99.200 -91.000 TYR 95 0.840 -0.735 44.690 24.406 -99.200 -91.000 TYR 103 0.840 -5.100 41.653 16.225 -99.200 -91.000 TYR 107 0.840 -5.647 43.728 32.242 -99.200 -91.000 TRP 110 1.040 -13.847 35.250 33.710 -99.200 -91.000 TRP6 110 1.020 -15.706 35.240 32.234 -99.200 -91.000 HIS 112 0.900 -17.843 32.790 39.657 -99.200 -91.000 TRP 119 1.040 -16.107 20.834 37.992 -99.200 -91.000 TRP6 119 1.020 -15.740 20.145 40.236 -99.200 -91.000 TRP 130 1.040 -12.608 44.647 24.578 -99.200 -91.000 TRP6 130 1.020 -13.160 44.169 22.329 -99.200 -91.000 TYR 142 0.840 -21.135 54.532 22.970 -99.200 -91.000 HIS 151 0.900 -5.223 54.249 30.355 -99.200 -91.000 TRP 153 1.040 -11.278 53.182 30.057 -99.200 -91.000 TRP6 153 1.020 -9.738 51.559 29.297 -99.200 -91.000 TYR 156 0.840 -18.972 49.253 23.183 -99.200 -91.000 TYR 159 0.840 -27.465 37.007 29.977 -99.200 -91.000 TRP 168 1.040 -20.765 35.655 31.237 -99.200 -91.000 TRP6 168 1.020 -20.548 33.311 30.949 -99.200 -91.000 PHE 171 1.000 -21.915 44.980 33.658 -99.200 -91.000 PHE 173 1.000 -15.600 49.594 31.904 -99.200 -91.000 PHE 189 1.000 -11.250 50.199 34.299 -99.200 -91.000 TYR 192 0.840 -18.807 53.492 34.522 -99.200 -91.000 TRP 199 1.040 -25.694 49.510 34.571 -99.200 -91.000 TRP6 199 1.020 -24.261 50.216 32.831 -99.200 -91.000 TYR 205 0.840 -17.072 36.882 47.758 -99.200 -91.000 PHE 211 1.000 -3.407 41.704 28.201 -99.200 -91.000 PHE 216 1.000 -13.457 38.410 17.864 -99.200 -91.000 TRP 227 1.040 0.487 38.696 34.537 -99.200 -91.000 TRP6 227 1.020 -1.562 39.661 33.860 -99.200 -91.000