============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. TYR 6 0.840 -6.046 51.856 12.785 -99.200 -91.000 TYR 10 0.840 -0.672 43.656 13.817 -99.200 -91.000 PHE 24 1.000 -1.220 27.278 2.989 -99.200 -91.000 TRP 50 1.040 5.420 25.888 14.065 -99.200 -91.000 TRP6 50 1.020 5.526 26.129 16.417 -99.200 -91.000 TRP 51 1.040 15.516 25.072 14.174 -99.200 -91.000 TRP6 51 1.020 16.284 24.377 16.298 -99.200 -91.000 TYR 62 0.840 18.332 26.761 6.780 -99.200 -91.000 TRP 64 1.040 13.650 28.932 3.902 -99.200 -91.000 TRP6 64 1.020 13.106 29.484 6.142 -99.200 -91.000 TYR 67 0.840 6.139 28.244 7.625 -99.200 -91.000 PHE 87 1.000 15.124 30.223 16.069 -99.200 -91.000 HIS 88 0.900 8.250 28.266 20.257 -99.200 -91.000 TRP 105 1.040 19.027 18.966 12.376 -99.200 -91.000 TRP6 105 1.020 20.658 20.361 13.378 -99.200 -91.000 HIS 114 0.900 20.304 11.819 27.897 -99.200 -91.000 PHE 117 1.000 16.930 17.846 24.900 -99.200 -91.000 TYR 118 0.840 15.970 26.155 29.587 -99.200 -91.000 TYR 129 0.840 14.700 28.051 23.712 -99.200 -91.000 PHE 140 1.000 23.339 22.072 19.730 -99.200 -91.000 HIS 141 0.900 25.849 16.984 13.450 -99.200 -91.000 TYR 149 0.840 18.580 29.266 18.785 -99.200 -91.000 TYR 152 0.840 14.432 29.061 11.216 -99.200 -91.000 PHE 156 1.000 11.274 34.569 7.380 -99.200 -91.000 PHE 163 1.000 6.197 36.162 -0.245 -99.200 -91.000 TYR 173 0.840 6.101 39.567 17.880 -99.200 -91.000 TYR 184 0.840 15.901 30.242 33.248 -99.200 -91.000 TYR 187 0.840 4.589 28.780 32.956 -99.200 -91.000 TRP 193 1.040 2.725 24.639 37.093 -99.200 -91.000 TRP6 193 1.020 1.231 25.785 35.663 -99.200 -91.000 PHE 195 1.000 -3.566 29.849 37.996 -99.200 -91.000 PHE 201 1.000 14.283 28.851 41.622 -99.200 -91.000 TYR 204 0.840 18.425 22.327 39.892 -99.200 -91.000 TYR 207 0.840 26.769 21.971 28.312 -99.200 -91.000 PHE 212 1.000 24.811 28.894 41.822 -99.200 -91.000 HIS 221 0.900 30.106 33.664 50.303 -99.200 -91.000 TRP 224 1.040 26.836 30.635 49.102 -99.200 -91.000 TRP6 224 1.020 26.745 32.865 48.319 -99.200 -91.000 TYR 233 0.840 7.983 21.084 37.696 -99.200 -91.000 PHE 242 1.000 15.073 30.245 46.680 -99.200 -91.000 PHE 243 1.000 10.314 30.501 45.719 -99.200 -91.000 TYR 249 0.840 12.000 35.685 49.281 -99.200 -91.000 PHE 256 1.000 26.467 35.119 43.040 -99.200 -91.000 PHE 257 1.000 19.049 30.121 41.748 -99.200 -91.000 TRP 260 1.040 24.376 32.181 37.453 -99.200 -91.000 TRP6 260 1.020 23.036 30.241 37.259 -99.200 -91.000 TYR 261 0.840 16.438 30.582 37.173 -99.200 -91.000 HIS 268 0.900 18.549 32.446 25.250 -99.200 -91.000 PHE 280 1.000 14.951 38.914 9.741 -99.200 -91.000 HIS 295 0.900 -2.318 35.246 36.143 -99.200 -91.000 TRP 296 1.040 1.273 31.059 38.613 -99.200 -91.000 TRP6 296 1.020 1.117 31.524 36.298 -99.200 -91.000 TRP 297 1.040 1.892 31.431 43.846 -99.200 -91.000 TRP6 297 1.020 0.625 31.213 45.836 -99.200 -91.000 TYR 298 0.840