============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 17.609 27.917 29.286 -99.200 -91.000 TRP6 14 1.020 17.296 25.595 29.547 -99.200 -91.000 PHE 19 1.000 12.793 41.897 16.112 -99.200 -91.000 TRP 37 1.040 6.623 37.467 36.435 -99.200 -91.000 TRP6 37 1.020 7.114 39.695 37.042 -99.200 -91.000 HIS 43 0.900 23.685 46.037 28.716 -99.200 -91.000 TYR 47 0.840 25.689 52.595 29.097 -99.200 -91.000 TRP 49 1.040 26.548 53.611 24.720 -99.200 -91.000 TRP6 49 1.020 26.186 51.293 24.482 -99.200 -91.000 PHE 53 1.000 15.705 50.676 23.281 -99.200 -91.000 HIS 65 0.900 18.474 26.677 15.584 -99.200 -91.000 TYR 70 0.840 7.012 34.450 12.625 -99.200 -91.000 TYR 84 0.840 7.813 45.048 37.269 -99.200 -91.000 HIS 86 0.900 18.379 45.561 42.319 -99.200 -91.000 TYR 89 0.840 20.720 49.847 35.119 -99.200 -91.000 TRP 91 1.040 22.012 55.278 34.606 -99.200 -91.000 TRP6 91 1.020 23.200 57.221 34.003 -99.200 -91.000 PHE 110 1.000 6.285 26.939 30.315 -99.200 -91.000 TYR 113 0.840 10.524 23.154 18.968 -99.200 -91.000 HIS 115 0.900 10.268 23.043 30.217 -99.200 -91.000 TYR 132 0.840 32.893 23.193 40.097 -99.200 -91.000 TRP 139 1.040 19.938 34.008 17.938 -99.200 -91.000 TRP6 139 1.020 18.418 33.899 19.722 -99.200 -91.000 TRP 146 1.040 30.377 42.799 11.480 -99.200 -91.000 TRP6 146 1.020 29.843 43.257 13.729 -99.200 -91.000 PHE 178 1.000 28.563 34.432 37.067 -99.200 -91.000 TYR 182 0.840 37.193 27.855 28.012 -99.200 -91.000 PHE 201 1.000 28.304 31.158 33.592 -99.200 -91.000 PHE 207 1.000 24.397 18.522 43.538 -99.200 -91.000 TRP 211 1.040 20.225 22.298 31.397 -99.200 -91.000 TRP6 211 1.020 22.475 22.686 30.806 -99.200 -91.000 TYR 212 0.840 19.143 24.671 39.331 -99.200 -91.000 TRP 219 1.040 30.490 44.571 33.414 -99.200 -91.000 TRP6 219 1.020 32.789 44.953 33.753 -99.200 -91.000 TYR 229 0.840 39.545 36.225 32.625 -99.200 -91.000 PHE 231 1.000 34.261 41.422 35.189 -99.200 -91.000 TYR 232 0.840 28.928 35.799 31.848 -99.200 -91.000 HIS 234 0.900 26.611 35.613 42.824 -99.200 -91.000 PHE 236 1.000 21.774 32.638 46.217 -99.200 -91.000 TRP 241 1.040 14.686 43.857 42.703 -99.200 -91.000 TRP6 241 1.020 15.232 43.089 40.558 -99.200 -91.000 PHE 249 1.000 5.691 44.500 40.825 -99.200 -91.000