============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 28 1.000 10.788 21.832 41.225 -99.200 -91.000 TYR 31 0.840 -1.037 20.682 34.866 -99.200 -91.000 PHE 39 1.000 1.172 27.827 44.824 -99.200 -91.000 PHE 44 1.000 -0.002 31.922 39.815 -99.200 -91.000 PHE 51 1.000 5.357 39.853 46.663 -99.200 -91.000 PHE 59 1.000 4.310 30.267 39.701 -99.200 -91.000 PHE 61 1.000 3.030 23.247 37.127 -99.200 -91.000 PHE 66 1.000 5.982 13.248 43.545 -99.200 -91.000 HIS 67 0.900 -0.989 12.681 42.772 -99.200 -91.000 TRP 82 1.040 6.868 27.000 27.615 -99.200 -91.000 TRP6 82 1.020 6.243 29.192 28.252 -99.200 -91.000 PHE 89 1.000 1.883 26.613 30.776 -99.200 -91.000 TRP 90 1.040 1.851 31.189 32.582 -99.200 -91.000 TRP6 90 1.020 2.559 29.767 34.337 -99.200 -91.000 PHE 92 1.000 -3.868 23.048 28.779 -99.200 -91.000 HIS 93 0.900 -0.330 25.685 35.439 -99.200 -91.000 PHE 97 1.000 -2.888 22.661 39.018 -99.200 -91.000 TRP 107 1.040 -8.702 14.085 37.535 -99.200 -91.000 TRP6 107 1.020 -8.124 16.058 36.373 -99.200 -91.000 PHE 137 1.000 5.381 18.965 22.319 -99.200 -91.000 TYR 160 0.840 13.192 24.604 45.407 -99.200 -91.000 PHE 169 1.000 0.061 23.683 49.737 -99.200 -91.000 TYR 172 0.840 0.624 35.642 50.003 -99.200 -91.000