============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TRP 6 1.040 34.086 26.341 33.064 -99.200 -91.000 TRP6 6 1.020 35.217 25.560 34.995 -99.200 -91.000 HIS 11 0.900 38.101 18.516 25.568 -99.200 -91.000 TYR 26 0.840 49.187 -1.089 29.861 -99.200 -91.000 PHE 40 1.000 42.548 -6.225 28.203 -99.200 -91.000 HIS 44 0.900 32.254 -2.748 28.930 -99.200 -91.000 TYR 55 0.840 39.740 -2.441 37.167 -99.200 -91.000 HIS 56 0.900 38.790 -7.226 30.125 -99.200 -91.000 TYR 57 0.840 44.160 -8.859 36.790 -99.200 -91.000 HIS 74 0.900 54.218 -6.021 23.053 -99.200 -91.000 TYR 75 0.840 51.102 1.161 24.317 -99.200 -91.000 HIS 92 0.900 22.228 -7.236 14.597 -99.200 -91.000 PHE 98 1.000 40.573 0.130 11.123 -99.200 -91.000 PHE 114 1.000 47.817 -14.281 11.301 -99.200 -91.000 HIS 131 0.900 20.013 -15.616 33.774 -99.200 -91.000 PHE 133 1.000 26.262 -15.897 26.802 -99.200 -91.000 TYR 145 0.840 46.137 -1.846 5.214 -99.200 -91.000 PHE 152 1.000 31.555 -11.198 16.897 -99.200 -91.000 TRP 163 1.040 24.957 -8.181 21.271 -99.200 -91.000 TRP6 163 1.020 25.992 -10.141 20.483 -99.200 -91.000 PHE 174 1.000 43.171 -12.023 11.997 -99.200 -91.000 TYR 177 0.840 52.759 -6.941 17.874 -99.200 -91.000 HIS 180 0.900 58.996 0.567 16.449 -99.200 -91.000 HIS 184 0.900 59.837 -6.933 21.137 -99.200 -91.000 PHE 186 1.000 52.227 -16.261 22.359 -99.200 -91.000 PHE 187 1.000 48.916 -11.679 21.067 -99.200 -91.000 TYR 195 0.840 46.613 -16.983 20.431 -99.200 -91.000 PHE 202 1.000 38.713 -10.573 39.017 -99.200 -91.000 PHE 203 1.000 32.150 -7.474 33.230 -99.200 -91.000 TYR 209 0.840 31.283 -11.803 31.341 -99.200 -91.000 PHE 217 1.000 45.591 -19.173 10.090 -99.200 -91.000 PHE 233 1.000 28.578 -11.065 35.989 -99.200 -91.000 HIS 242 0.900 20.524 -7.232 28.696 -99.200 -91.000 TYR 246 0.840 25.498 -2.314 19.990 -99.200 -91.000 PHE 260 1.000 38.892 15.978 21.118 -99.200 -91.000 PHE 264 1.000 49.224 19.489 19.663 -99.200 -91.000 PHE 267 1.000 48.540 19.055 27.456 -99.200 -91.000 PHE 313 1.000 46.585 18.753 15.554 -99.200 -91.000 PHE 316 1.000 46.138 16.583 22.662 -99.200 -91.000 TRP 323 1.040 42.860 9.798 26.584 -99.200 -91.000 TRP6 323 1.020 43.454 7.514 26.470 -99.200 -91.000 PHE 337 1.000 35.470 19.990 43.276 -99.200 -91.000 PHE 340 1.000 39.840 23.075 37.380 -99.200 -91.000 TYR 347 0.840 30.934 24.330 48.512 -99.200 -91.000 HIS 355 0.900 47.315 29.092 41.956 -99.200 -91.000 TYR 386 0.840 32.314 15.127 42.466 -99.200 -91.000 PHE 389 1.000 35.618 19.668 37.872 -99.200 -91.000