============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 4 0.840 74.475 50.254 26.309 -99.200 -91.000 PHE 8 1.000 59.759 48.360 20.273 -99.200 -91.000 HIS 10 0.900 52.510 51.191 14.329 -99.200 -91.000 TYR 18 0.840 50.256 44.219 20.658 -99.200 -91.000 HIS 19 0.900 51.083 52.761 26.713 -99.200 -91.000 PHE 22 1.000 55.286 46.800 22.763 -99.200 -91.000 TRP 25 1.040 60.668 44.269 26.500 -99.200 -91.000 TRP6 25 1.020 60.949 46.122 25.078 -99.200 -91.000 PHE 42 1.000 58.407 57.982 22.809 -99.200 -91.000 TRP 62 1.040 57.221 51.234 13.665 -99.200 -91.000 TRP6 62 1.020 57.139 53.480 14.388 -99.200 -91.000 TYR 71 0.840 62.284 46.776 4.006 -99.200 -91.000 TYR 81 0.840 41.439 31.358 5.986 -99.200 -91.000 PHE 82 1.000 52.475 31.277 8.489 -99.200 -91.000 PHE 85 1.000 46.613 27.475 3.784 -99.200 -91.000 TRP 108 1.040 63.073 33.078 5.187 -99.200 -91.000 TRP6 108 1.020 60.876 32.372 5.662 -99.200 -91.000 PHE 116 1.000 66.795 44.069 2.838 -99.200 -91.000 PHE 123 1.000 58.768 34.655 15.230 -99.200 -91.000 TYR 124 0.840 57.915 33.534 20.495 -99.200 -91.000 TRP 125 1.040 55.440 41.080 21.516 -99.200 -91.000 TRP6 125 1.020 54.742 42.661 23.124 -99.200 -91.000 TYR 129 0.840 42.897 32.964 15.015 -99.200 -91.000 HIS 131 0.900 36.958 36.506 13.225 -99.200 -91.000 PHE 132 1.000 36.292 39.143 4.869 -99.200 -91.000 TRP 157 1.040 48.173 43.876 5.699 -99.200 -91.000 TRP6 157 1.020 47.186 42.928 7.612 -99.200 -91.000 PHE 173 1.000 41.937 51.051 13.354 -99.200 -91.000 TYR 177 0.840 31.231 55.718 12.396 -99.200 -91.000 TYR 192 0.840 34.377 39.598 17.522 -99.200 -91.000 TYR 196 0.840 32.882 47.796 22.857 -99.200 -91.000 TYR 201 0.840 29.343 49.626 18.695 -99.200 -91.000 TYR 206 0.840 24.459 40.840 9.158 -99.200 -91.000 HIS 211 0.900 39.812 37.714 7.113 -99.200 -91.000 PHE 212 1.000 44.610 38.942 6.410 -99.200 -91.000 PHE 217 1.000 57.488 38.840 12.192 -99.200 -91.000 TRP 224 1.040 70.420 50.889 20.477 -99.200 -91.000 TRP6 224 1.020 69.107 49.227 21.515 -99.200 -91.000 PHE 225 1.000 69.962 42.779 20.106 -99.200 -91.000 TYR 232 0.840 73.403 45.434 30.261 -99.200 -91.000 TYR 257 0.840 37.914 44.759 23.366 -99.200 -91.000 PHE 278 1.000 35.496 32.758 2.920 -99.200 -91.000 TYR 285 0.840 49.713 31.484 1.420 -99.200 -91.000