============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 16 1.000 17.652 20.795 50.413 -99.200 -91.000 TYR 26 0.840 28.406 15.318 59.706 -99.200 -91.000 TYR 28 0.840 32.882 14.522 50.723 -99.200 -91.000 PHE 29 1.000 34.663 15.600 57.996 -99.200 -91.000 PHE 38 1.000 40.550 5.610 64.858 -99.200 -91.000 PHE 45 1.000 32.814 11.302 61.071 -99.200 -91.000 HIS 55 0.900 18.497 15.879 60.864 -99.200 -91.000 PHE 60 1.000 13.719 19.736 47.720 -99.200 -91.000 PHE 62 1.000 7.818 21.469 56.797 -99.200 -91.000 PHE 74 1.000 26.325 27.147 53.593 -99.200 -91.000 HIS 83 0.900 40.853 14.535 68.559 -99.200 -91.000 HIS 94 0.900 27.938 24.408 70.864 -99.200 -91.000 HIS 95 0.900 25.988 28.460 64.225 -99.200 -91.000 TYR 97 0.840 23.592 21.273 70.664 -99.200 -91.000 TYR 101 0.840 18.403 23.131 62.259 -99.200 -91.000 PHE 104 1.000 17.533 29.203 60.315 -99.200 -91.000 TYR 113 0.840 5.130 30.500 57.976 -99.200 -91.000 PHE 120 1.000 13.458 25.523 60.790 -99.200 -91.000 PHE 129 1.000 22.818 9.997 70.676 -99.200 -91.000 HIS 130 0.900 23.092 13.699 63.981 -99.200 -91.000 PHE 134 1.000 29.633 13.423 64.406 -99.200 -91.000 PHE 137 1.000 32.091 6.827 68.498 -99.200 -91.000 PHE 147 1.000 40.284 0.223 67.731 -99.200 -91.000 TRP 155 1.040 37.072 -5.090 73.859 -99.200 -91.000 TRP6 155 1.020 37.299 -2.778 73.412 -99.200 -91.000 TYR 162 0.840 35.908 -13.930 68.602 -99.200 -91.000 HIS 164 0.900 39.453 -10.439 72.974 -99.200 -91.000 HIS 178 0.900 37.870 -8.845 57.463 -99.200 -91.000 HIS 182 0.900 36.810 -4.439 59.863 -99.200 -91.000 PHE 183 1.000 37.494 -7.369 67.209 -99.200 -91.000 TRP 190 1.040 18.682 -6.442 72.447 -99.200 -91.000 TRP6 190 1.020 20.619 -6.047 71.147 -99.200 -91.000