============================================================================= 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. HIS 5 0.900 11.217 8.367 6.590 -99.200 -91.000 PHE 19 1.000 -8.107 23.757 23.868 -99.200 -91.000 TYR 41 0.840 19.264 10.892 17.743 -99.200 -91.000 PHE 49 1.000 12.383 5.343 26.528 -99.200 -91.000 PHE 63 1.000 -0.293 21.756 13.788 -99.200 -91.000 PHE 64 1.000 3.564 24.411 16.810 -99.200 -91.000 PHE 71 1.000 24.861 14.328 12.717 -99.200 -91.000 HIS 87 0.900 34.040 10.551 10.725 -99.200 -91.000 TRP 99 1.040 19.273 23.727 6.231 -99.200 -91.000 TRP6 99 1.020 17.804 22.996 7.938 -99.200 -91.000 TRP 105 1.040 21.952 21.502 20.851 -99.200 -91.000 TRP6 105 1.020 23.536 22.757 22.088 -99.200 -91.000 HIS 111 0.900 27.120 9.586 35.827 -99.200 -91.000 HIS 124 0.900 33.771 16.782 16.382 -99.200 -91.000 PHE 146 1.000 13.674 20.661 36.045 -99.200 -91.000 TRP 158 1.040 32.235 28.114 25.288 -99.200 -91.000 TRP6 158 1.020 32.341 26.287 23.779 -99.200 -91.000 PHE 162 1.000 18.037 35.218 23.533 -99.200 -91.000 PHE 174 1.000 10.150 3.571 33.197 -99.200 -91.000 PHE 177 1.000 8.962 8.942 24.458 -99.200 -91.000 TYR 188 0.840 6.425 14.167 32.019 -99.200 -91.000 TYR 189 0.840 2.626 15.683 21.959 -99.200 -91.000 PHE 202 1.000 14.202 34.645 21.010 -99.200 -91.000 HIS 209 0.900 15.695 41.926 12.708 -99.200 -91.000 TYR 217 0.840 32.478 50.062 22.574 -99.200 -91.000 HIS 225 0.900 35.547 47.479 10.728 -99.200 -91.000