============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 7 1.040 64.508 -14.024 5.759 -99.200 -91.000 TRP6 7 1.020 66.705 -13.555 6.508 -99.200 -91.000 PHE 20 1.000 38.224 -12.575 6.863 -99.200 -91.000 PHE 33 1.000 54.675 -11.619 -5.776 -99.200 -91.000 HIS 39 0.900 42.730 -11.582 7.060 -99.200 -91.000 TYR 40 0.840 46.348 -13.899 14.282 -99.200 -91.000 TYR 42 0.840 41.707 -4.736 16.959 -99.200 -91.000 TRP 51 1.040 55.088 -4.052 18.651 -99.200 -91.000 TRP6 51 1.020 53.882 -2.500 17.385 -99.200 -91.000 TYR 54 0.840 53.009 -12.781 12.591 -99.200 -91.000 PHE 59 1.000 47.725 -2.566 12.788 -99.200 -91.000 TYR 73 0.840 50.189 -3.076 21.904 -99.200 -91.000 TYR 92 0.840 44.785 6.273 -1.290 -99.200 -91.000 HIS 100 0.900 64.668 7.444 11.288 -99.200 -91.000 TRP 101 1.040 62.010 -0.756 11.052 -99.200 -91.000 TRP6 101 1.020 61.169 0.537 12.883 -99.200 -91.000 PHE 166 1.000 73.780 -5.734 5.902 -99.200 -91.000 TYR 175 0.840 81.446 4.310 14.968 -99.200 -91.000 TYR 185 0.840 88.408 -5.866 13.724 -99.200 -91.000 TRP 192 1.040 84.109 -8.431 19.570 -99.200 -91.000 TRP6 192 1.020 85.745 -8.937 17.904 -99.200 -91.000 TYR 218 0.840 70.992 -27.772 -1.992 -99.200 -91.000 PHE 248 1.000 71.400 -30.372 2.550 -99.200 -91.000 PHE 252 1.000 65.603 -36.903 10.868 -99.200 -91.000 PHE 263 1.000 57.094 -25.878 20.626 -99.200 -91.000 TYR 310 0.840 72.033 -27.195 16.875 -99.200 -91.000