============================================================================= 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. TYR 12 0.840 44.844 12.105 7.563 -99.200 -91.000 TYR 15 0.840 36.855 24.421 3.734 -99.200 -91.000 TYR 23 0.840 37.786 34.202 -2.974 -99.200 -91.000 PHE 28 1.000 40.502 22.791 0.215 -99.200 -91.000 TYR 31 0.840 50.892 13.664 6.476 -99.200 -91.000 PHE 45 1.000 52.916 17.742 -8.801 -99.200 -91.000 TYR 47 0.840 49.625 21.749 -5.509 -99.200 -91.000 TYR 57 0.840 38.676 8.686 2.939 -99.200 -91.000 TRP 61 1.040 35.790 0.346 -8.184 -99.200 -91.000 TRP6 61 1.020 36.820 0.039 -6.075 -99.200 -91.000 HIS 71 0.900 43.308 10.061 -17.257 -99.200 -91.000 TYR 84 0.840 42.677 -8.897 -4.078 -99.200 -91.000 PHE 92 1.000 45.976 2.688 -3.455 -99.200 -91.000 PHE 96 1.000 50.266 9.352 2.457 -99.200 -91.000 TYR 105 0.840 38.708 1.008 28.363 -99.200 -91.000 TYR 125 0.840 35.388 -6.419 23.224 -99.200 -91.000 PHE 136 1.000 41.517 -7.887 11.885 -99.200 -91.000 PHE 137 1.000 38.227 -7.009 15.846 -99.200 -91.000 TYR 145 0.840 43.115 -9.884 16.715 -99.200 -91.000 TRP 149 1.040 32.247 -11.904 14.350 -99.200 -91.000 TRP6 149 1.020 31.341 -9.775 13.849 -99.200 -91.000 PHE 151 1.000 31.578 -8.255 24.530 -99.200 -91.000 TYR 173 0.840 32.006 0.912 22.569 -99.200 -91.000 TYR 184 0.840 43.675 15.215 14.942 -99.200 -91.000 TYR 204 0.840 46.155 6.334 5.983 -99.200 -91.000 TYR 214 0.840 52.614 13.412 -13.677 -99.200 -91.000 HIS 232 0.900 59.386 9.121 11.151 -99.200 -91.000 TRP 238 1.040 50.035 19.097 9.392 -99.200 -91.000 TRP6 238 1.020 48.745 21.086 9.397 -99.200 -91.000 TRP 239 1.040 48.032 12.386 13.891 -99.200 -91.000 TRP6 239 1.020 48.102 12.852 11.573 -99.200 -91.000