============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 14 0.840 51.754 159.361 61.700 -99.200 -91.000 PHE 38 1.000 56.147 167.334 46.713 -99.200 -91.000 TRP 39 1.040 63.089 167.528 50.268 -99.200 -91.000 TRP6 39 1.020 64.061 165.375 50.064 -99.200 -91.000 PHE 59 1.000 59.828 164.466 38.980 -99.200 -91.000 TYR 67 0.840 61.792 169.428 36.634 -99.200 -91.000 PHE 74 1.000 65.622 172.260 48.671 -99.200 -91.000 TYR 78 0.840 64.338 168.786 56.337 -99.200 -91.000 TRP 88 1.040 64.843 176.145 44.708 -99.200 -91.000 TRP6 88 1.020 62.997 175.521 46.065 -99.200 -91.000 TYR 122 0.840 52.301 180.602 58.884 -99.200 -91.000 TYR 129 0.840 66.649 182.290 53.143 -99.200 -91.000 TYR 140 0.840 58.538 177.850 46.837 -99.200 -91.000 TYR 158 0.840 48.135 172.312 56.818 -99.200 -91.000 TYR 161 0.840 41.725 160.635 62.950 -99.200 -91.000 PHE 174 1.000 46.913 169.133 51.995 -99.200 -91.000 TYR 182 0.840 36.105 168.468 66.572 -99.200 -91.000 PHE 211 1.000 56.432 169.603 86.388 -99.200 -91.000 PHE 213 1.000 57.403 175.819 77.592 -99.200 -91.000 TYR 227 0.840 62.946 166.573 70.094 -99.200 -91.000 PHE 228 1.000 57.932 170.614 76.658 -99.200 -91.000 PHE 232 1.000 58.426 172.881 81.049 -99.200 -91.000 TYR 252 0.840 74.781 166.233 77.378 -99.200 -91.000 TYR 254 0.840 66.216 164.136 80.108 -99.200 -91.000 PHE 255 1.000 68.942 156.243 75.859 -99.200 -91.000 PHE 268 1.000 51.782 167.943 76.548 -99.200 -91.000 PHE 270 1.000 48.550 173.387 73.633 -99.200 -91.000 TYR 283 0.840 54.752 161.771 76.963 -99.200 -91.000 TYR 285 0.840 60.775 155.915 69.270 -99.200 -91.000 TRP 294 1.040 60.326 160.783 79.467 -99.200 -91.000 TRP6 294 1.020 60.775 163.013 80.106 -99.200 -91.000 PHE 308 1.000 49.999 168.088 71.713 -99.200 -91.000 HIS 311 0.900 47.411 160.177 72.115 -99.200 -91.000 TYR 313 0.840 40.293 166.665 63.222 -99.200 -91.000 TYR 316 0.840 48.675 172.190 62.035 -99.200 -91.000 TYR 330 0.840 42.788 157.967 68.706 -99.200 -91.000