============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 20.815 14.916 50.159 -99.200 -91.000 TRP6 14 1.020 20.764 14.550 47.824 -99.200 -91.000 PHE 19 1.000 23.146 7.673 66.947 -99.200 -91.000 TRP 37 1.040 34.361 21.242 54.907 -99.200 -91.000 TRP6 37 1.020 34.575 22.363 56.983 -99.200 -91.000 HIS 43 0.900 17.885 23.720 67.331 -99.200 -91.000 TYR 47 0.840 18.237 26.362 73.535 -99.200 -91.000 TRP 49 1.040 15.475 23.252 75.985 -99.200 -91.000 TRP6 49 1.020 14.155 23.179 74.021 -99.200 -91.000 PHE 53 1.000 25.877 17.355 72.686 -99.200 -91.000 HIS 65 0.900 15.414 2.645 54.482 -99.200 -91.000 TYR 70 0.840 26.973 -1.726 61.760 -99.200 -91.000 TYR 84 0.840 35.303 25.067 62.105 -99.200 -91.000 HIS 86 0.900 26.402 33.304 61.712 -99.200 -91.000 TYR 89 0.840 22.787 29.312 68.183 -99.200 -91.000 TRP 91 1.040 23.462 29.821 74.273 -99.200 -91.000 TRP6 91 1.020 22.673 29.882 76.501 -99.200 -91.000 PHE 110 1.000 31.504 11.663 48.043 -99.200 -91.000 TYR 113 0.840 23.232 1.716 49.177 -99.200 -91.000 HIS 115 0.900 26.784 11.870 44.727 -99.200 -91.000 TYR 132 0.840 7.980 28.116 42.451 -99.200 -91.000 TRP 139 1.040 16.445 7.801 60.419 -99.200 -91.000 TRP6 139 1.020 18.306 8.678 59.244 -99.200 -91.000 TRP 146 1.040 5.711 7.729 71.879 -99.200 -91.000 TRP6 146 1.020 7.137 9.470 71.142 -99.200 -91.000 PHE 184 1.000 13.034 27.941 53.801 -99.200 -91.000 TYR 188 0.840 0.597 20.286 51.942 -99.200 -91.000 PHE 207 1.000 11.974 23.224 52.125 -99.200 -91.000 PHE 213 1.000 15.593 27.010 36.161 -99.200 -91.000 TRP 217 1.040 17.305 15.704 44.061 -99.200 -91.000 TRP6 217 1.020 15.114 16.108 44.864 -99.200 -91.000 TYR 218 0.840 21.236 23.494 43.160 -99.200 -91.000 TRP 225 1.040 12.111 28.513 64.742 -99.200 -91.000 TRP6 225 1.020 9.983 29.498 65.109 -99.200 -91.000 TYR 235 0.840 1.642 27.898 57.971 -99.200 -91.000 PHE 237 1.000 8.351 29.886 61.365 -99.200 -91.000 TYR 238 0.840 11.673 23.776 57.196 -99.200 -91.000 HIS 240 0.900 16.887 32.300 52.679 -99.200 -91.000 PHE 242 1.000 21.927 33.139 47.860 -99.200 -91.000 TRP 247 1.040 29.668 31.338 59.550 -99.200 -91.000 TRP6 247 1.020 28.884 29.122 59.837 -99.200 -91.000 PHE 255 1.000 38.918 28.071 61.269 -99.200 -91.000