============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 8 0.840 35.407 12.625 21.764 -99.200 -91.000 HIS 22 0.900 40.852 21.508 19.355 -99.200 -91.000 HIS 34 0.900 34.600 -8.893 38.751 -99.200 -91.000 TRP 38 1.040 39.200 -12.757 42.004 -99.200 -91.000 TRP6 38 1.020 37.923 -11.041 42.998 -99.200 -91.000 PHE 39 1.000 36.058 -12.761 36.693 -99.200 -91.000 HIS 41 0.900 39.781 -15.944 32.904 -99.200 -91.000 TYR 53 0.840 39.885 -2.142 16.707 -99.200 -91.000 TRP 55 1.040 31.165 -5.010 22.702 -99.200 -91.000 TRP6 55 1.020 30.317 -5.260 24.889 -99.200 -91.000 TYR 65 0.840 38.342 -6.286 43.326 -99.200 -91.000 TYR 71 0.840 50.216 -2.871 44.116 -99.200 -91.000 PHE 78 1.000 47.782 -8.532 40.763 -99.200 -91.000 HIS 83 0.900 53.815 0.340 34.024 -99.200 -91.000 TYR 95 0.840 40.068 9.684 25.643 -99.200 -91.000 TRP 100 1.040 44.854 2.238 45.190 -99.200 -91.000 TRP6 100 1.020 46.821 1.012 44.760 -99.200 -91.000 HIS 101 0.900 37.327 -2.171 42.125 -99.200 -91.000 HIS 109 0.900 46.571 7.177 55.573 -99.200 -91.000 TYR 110 0.840 44.632 -2.140 55.194 -99.200 -91.000 PHE 118 1.000 49.109 1.094 40.136 -99.200 -91.000 PHE 119 1.000 47.027 5.704 41.329 -99.200 -91.000 HIS 126 0.900 51.767 4.019 31.064 -99.200 -91.000 TYR 134 0.840 47.220 8.895 36.246 -99.200 -91.000 TRP 145 1.040 34.270 15.528 51.245 -99.200 -91.000 TRP6 145 1.020 34.993 14.306 49.354 -99.200 -91.000 TYR 151 0.840 43.658 7.930 49.297 -99.200 -91.000 TRP 175 1.040 30.663 0.305 49.940 -99.200 -91.000 TRP6 175 1.020 29.494 0.589 51.974 -99.200 -91.000 TYR 201 0.840 35.013 15.915 43.685 -99.200 -91.000 PHE 203 1.000 25.691 8.306 41.950 -99.200 -91.000 HIS 204 0.900 31.673 3.405 41.852 -99.200 -91.000 PHE 205 1.000 23.783 4.354 37.811 -99.200 -91.000 TYR 206 0.840 26.200 -1.954 41.153 -99.200 -91.000 HIS 210 0.900 22.212 1.878 44.785 -99.200 -91.000 TYR 214 0.840 21.796 5.463 45.905 -99.200 -91.000 PHE 225 1.000 30.552 17.503 43.131 -99.200 -91.000 PHE 228 1.000 34.013 8.635 33.485 -99.200 -91.000 PHE 232 1.000 26.182 2.036 34.055 -99.200 -91.000 TYR 237 0.840 22.365 -4.809 47.937 -99.200 -91.000 PHE 245 1.000 18.284 -4.604 30.931 -99.200 -91.000 TYR 251 0.840 20.472 5.891 38.054 -99.200 -91.000 TRP 262 1.040 27.439 5.934 30.504 -99.200 -91.000 TRP6 262 1.020 27.555 3.918 29.265 -99.200 -91.000 TRP 265 1.040 31.204 -4.661 38.662 -99.200 -91.000 TRP6 265 1.020 33.535 -4.354 38.882 -99.200 -91.000 TYR 267 0.840 34.752 -6.451 27.370 -99.200 -91.000 PHE 271 1.000 28.596 -16.099 40.570 -99.200 -91.000 PHE 277 1.000 32.061 -10.522 26.909 -99.200 -91.000 TRP 288 1.040 35.622 -11.399 22.156 -99.200 -91.000 TRP6 288 1.020 36.090 -12.414 24.231 -99.200 -91.000 TRP 299 1.040 20.219 -1.517 28.815 -99.200 -91.000 TRP6 299 1.020 21.774 -0.262 30.055 -99.200 -91.000