============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 27.812 35.390 -12.774 -99.200 -91.000 TRP 15 1.040 23.242 21.457 -3.669 -99.200 -91.000 TRP6 15 1.020 21.560 19.781 -3.869 -99.200 -91.000 HIS 16 0.900 28.035 24.847 -2.870 -99.200 -91.000 TYR 24 0.840 37.956 17.480 5.942 -99.200 -91.000 PHE 51 1.000 42.210 31.184 -16.921 -99.200 -91.000 HIS 53 0.900 43.288 34.909 -26.719 -99.200 -91.000 PHE 56 1.000 44.466 25.717 -22.595 -99.200 -91.000 HIS 59 0.900 50.382 14.775 -26.445 -99.200 -91.000 HIS 61 0.900 43.730 16.570 -24.405 -99.200 -91.000 PHE 67 1.000 55.688 12.320 -14.682 -99.200 -91.000 TYR 88 0.840 18.873 31.442 -14.935 -99.200 -91.000 TRP 100 1.040 44.694 18.133 -7.504 -99.200 -91.000 TRP6 100 1.020 43.257 19.903 -7.789 -99.200 -91.000 HIS 110 0.900 52.753 17.245 -1.981 -99.200 -91.000 TYR 115 0.840 48.884 3.891 0.555 -99.200 -91.000 PHE 123 1.000 48.501 9.177 -13.638 -99.200 -91.000 TYR 136 0.840 29.348 18.359 -25.043 -99.200 -91.000 TYR 137 0.840 34.801 17.737 -18.419 -99.200 -91.000 PHE 139 1.000 40.408 16.912 -17.963 -99.200 -91.000 TYR 147 0.840 44.245 9.641 -1.141 -99.200 -91.000 TRP 149 1.040 41.315 10.067 4.741 -99.200 -91.000 TRP6 149 1.020 40.375 12.175 5.473 -99.200 -91.000 TRP 156 1.040 41.014 2.496 4.252 -99.200 -91.000 TRP6 156 1.020 42.865 1.923 2.882 -99.200 -91.000 HIS 160 0.900 39.927 11.652 -4.137 -99.200 -91.000 HIS 162 0.900 41.231 16.559 -4.949 -99.200 -91.000 PHE 163 1.000 36.897 16.997 -13.006 -99.200 -91.000 TYR 179 0.840 33.892 11.774 -4.077 -99.200 -91.000 PHE 180 1.000 36.203 7.296 -11.033 -99.200 -91.000 TYR 221 0.840 33.653 5.494 -14.802 -99.200 -91.000 PHE 223 1.000 31.974 15.613 -12.006 -99.200 -91.000 HIS 234 0.900 15.745 41.631 -13.575 -99.200 -91.000 PHE 235 1.000 12.412 45.864 -14.559 -99.200 -91.000