============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -51.614 133.630 -14.211 -99.200 -91.000 TYR 12 0.840 -58.970 131.978 -6.719 -99.200 -91.000 PHE 13 1.000 -56.809 136.218 -12.322 -99.200 -91.000 TRP 16 1.040 -63.219 140.813 -5.967 -99.200 -91.000 TRP6 16 1.020 -63.075 140.813 -3.609 -99.200 -91.000 PHE 24 1.000 -54.031 144.962 -2.711 -99.200 -91.000 HIS 26 0.900 -49.992 134.804 -0.898 -99.200 -91.000 TRP 28 1.040 -43.563 130.789 4.352 -99.200 -91.000 TRP6 28 1.020 -42.946 130.260 6.571 -99.200 -91.000 TRP 35 1.040 -53.085 140.858 -0.368 -99.200 -91.000 TRP6 35 1.020 -51.783 142.532 0.671 -99.200 -91.000 TYR 37 0.840 -61.477 142.156 6.578 -99.200 -91.000 TYR 41 0.840 -60.605 152.125 2.705 -99.200 -91.000 TYR 47 0.840 -57.963 154.026 -6.493 -99.200 -91.000 PHE 52 1.000 -49.701 136.819 -6.997 -99.200 -91.000 PHE 57 1.000 -47.276 129.299 -0.245 -99.200 -91.000 TRP 64 1.040 -39.830 118.631 -6.795 -99.200 -91.000 TRP6 64 1.020 -40.020 117.983 -4.533 -99.200 -91.000 TYR 69 0.840 -38.565 136.074 -3.305 -99.200 -91.000 PHE 72 1.000 -42.150 132.198 -5.531 -99.200 -91.000 HIS 82 0.900 -55.229 135.753 -18.301 -99.200 -91.000 PHE 93 1.000 -47.562 140.889 5.587 -99.200 -91.000 TYR 103 0.840 -43.692 143.081 -13.224 -99.200 -91.000 HIS 107 0.900 -40.813 140.141 -16.495 -99.200 -91.000 PHE 125 1.000 -36.464 137.559 7.028 -99.200 -91.000 TYR 131 0.840 -28.104 143.590 5.485 -99.200 -91.000 PHE 140 1.000 -34.502 133.134 7.853 -99.200 -91.000 PHE 143 1.000 -38.611 130.426 10.959 -99.200 -91.000 PHE 154 1.000 -42.920 127.197 11.669 -99.200 -91.000 PHE 158 1.000 -44.679 132.626 11.510 -99.200 -91.000 PHE 162 1.000 -48.556 136.917 10.336 -99.200 -91.000 TYR 163 0.840 -52.426 137.466 12.978 -99.200 -91.000 PHE 198 1.000 -39.156 133.189 4.116 -99.200 -91.000 PHE 203 1.000 -35.833 139.961 -2.838 -99.200 -91.000 HIS 218 0.900 -40.918 146.240 8.249 -99.200 -91.000 PHE 227 1.000 -38.187 150.427 10.876 -99.200 -91.000 TYR 246 0.840 -49.062 151.564 9.861 -99.200 -91.000 HIS 251 0.900 -44.345 140.035 9.028 -99.200 -91.000 PHE 253 1.000 -48.156 146.596 8.453 -99.200 -91.000 HIS 257 0.900 -51.334 148.653 14.009 -99.200 -91.000 PHE 268 1.000 -47.885 155.085 -3.191 -99.200 -91.000