============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TRP 13 1.040 18.967 26.945 -11.688 -99.200 -91.000 TRP6 13 1.020 21.168 26.766 -12.531 -99.200 -91.000 HIS 16 0.900 24.371 24.810 -6.197 -99.200 -91.000 TRP 29 1.040 42.661 21.224 -23.498 -99.200 -91.000 TRP6 29 1.020 42.930 22.733 -25.306 -99.200 -91.000 PHE 49 1.000 48.097 13.981 -12.377 -99.200 -91.000 HIS 51 0.900 42.670 7.367 -18.603 -99.200 -91.000 HIS 54 0.900 54.194 14.881 -13.501 -99.200 -91.000 HIS 57 0.900 46.629 15.201 -15.906 -99.200 -91.000 PHE 91 1.000 48.162 -6.969 -24.226 -99.200 -91.000 HIS 95 0.900 45.985 -7.638 -30.031 -99.200 -91.000 TYR 112 0.840 49.346 -7.962 -18.014 -99.200 -91.000 TYR 125 0.840 47.454 -8.285 -6.367 -99.200 -91.000 TYR 156 0.840 48.301 -22.762 -10.297 -99.200 -91.000 HIS 191 0.900 57.367 11.908 -11.734 -99.200 -91.000 PHE 196 1.000 50.336 18.598 -12.549 -99.200 -91.000 PHE 204 1.000 40.737 20.068 -1.297 -99.200 -91.000 PHE 209 1.000 41.636 -0.738 -4.088 -99.200 -91.000 TYR 218 0.840 54.389 6.350 1.457 -99.200 -91.000 HIS 229 0.900 50.989 26.345 2.602 -99.200 -91.000 PHE 245 1.000 34.531 6.437 7.021 -99.200 -91.000 PHE 272 1.000 20.509 0.698 1.737 -99.200 -91.000 PHE 335 1.000 23.987 16.924 -24.574 -99.200 -91.000 TYR 348 0.840 16.611 26.122 -5.148 -99.200 -91.000 TYR 356 0.840 19.017 24.382 5.887 -99.200 -91.000 TYR 360 0.840 21.892 24.487 16.808 -99.200 -91.000 TYR 408 0.840 27.197 22.472 15.518 -99.200 -91.000 HIS 426 0.900 43.546 23.719 2.026 -99.200 -91.000 PHE 441 1.000 41.779 39.096 9.798 -99.200 -91.000 HIS 445 0.900 40.769 46.158 9.683 -99.200 -91.000 HIS 470 0.900 39.382 36.249 14.366 -99.200 -91.000