============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.015 9.111 40.151 -99.200 -91.000 TYR 17 0.840 -1.112 12.403 42.961 -99.200 -91.000 PHE 18 1.000 -4.779 15.474 41.332 -99.200 -91.000 TRP 23 1.040 1.698 13.285 46.260 -99.200 -91.000 TRP6 23 1.020 1.870 11.039 46.968 -99.200 -91.000 TYR 24 0.840 8.243 16.161 51.093 -99.200 -91.000 TYR 28 0.840 16.448 13.388 38.999 -99.200 -91.000 TYR 40 0.840 16.424 20.656 39.992 -99.200 -91.000 TYR 58 0.840 11.447 24.128 46.622 -99.200 -91.000 HIS 59 0.900 10.870 22.260 39.173 -99.200 -91.000 TYR 60 0.840 17.789 24.868 46.725 -99.200 -91.000 PHE 68 1.000 12.269 26.353 38.494 -99.200 -91.000 TYR 69 0.840 8.126 27.805 46.139 -99.200 -91.000 TYR 82 0.840 -5.245 14.553 36.098 -99.200 -91.000 PHE 86 1.000 4.970 25.864 32.769 -99.200 -91.000 TYR 104 0.840 1.560 21.604 26.589 -99.200 -91.000 TYR 105 0.840 2.871 20.343 34.996 -99.200 -91.000 PHE 107 1.000 1.622 14.972 37.836 -99.200 -91.000 TYR 111 0.840 1.634 2.149 43.146 -99.200 -91.000 HIS 120 0.900 5.550 10.852 30.790 -99.200 -91.000 HIS 124 0.900 5.157 19.652 25.280 -99.200 -91.000 TYR 134 0.840 8.878 7.436 32.727 -99.200 -91.000 PHE 160 1.000 14.239 3.028 42.638 -99.200 -91.000 PHE 163 1.000 12.985 5.939 37.900 -99.200 -91.000 TYR 173 0.840 11.932 18.964 49.859 -99.200 -91.000