============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 27 0.840 50.876 93.448 51.012 -99.200 -91.000 HIS 90 0.900 39.564 87.211 43.945 -99.200 -91.000 TYR 100 0.840 36.056 73.907 41.144 -99.200 -91.000 PHE 101 1.000 30.139 81.252 42.089 -99.200 -91.000 TYR 133 0.840 52.124 92.789 27.815 -99.200 -91.000 PHE 174 1.000 47.600 81.815 43.519 -99.200 -91.000 TRP 178 1.040 45.252 66.966 38.920 -99.200 -91.000 TRP6 178 1.020 45.953 64.780 39.333 -99.200 -91.000 TYR 190 0.840 55.168 80.109 23.388 -99.200 -91.000 TRP 191 1.040 47.188 77.449 24.732 -99.200 -91.000 TRP6 191 1.020 45.774 77.443 26.594 -99.200 -91.000 PHE 192 1.000 54.171 73.481 26.402 -99.200 -91.000 HIS 199 0.900 35.785 73.982 30.504 -99.200 -91.000 PHE 205 1.000 26.400 72.284 38.652 -99.200 -91.000 TYR 220 0.840 43.224 71.102 59.272 -99.200 -91.000 TYR 222 0.840 42.501 69.014 65.288 -99.200 -91.000 TYR 230 0.840 33.993 67.293 62.020 -99.200 -91.000 HIS 243 0.900 36.684 64.348 57.792 -99.200 -91.000 HIS 274 0.900 45.213 67.277 57.345 -99.200 -91.000 PHE 280 1.000 42.127 59.437 42.993 -99.200 -91.000 TRP 294 1.040 28.779 60.018 55.684 -99.200 -91.000 TRP6 294 1.020 30.536 59.132 56.985 -99.200 -91.000 HIS 298 0.900 38.343 62.126 41.724 -99.200 -91.000 PHE 326 1.000 32.248 67.280 45.605 -99.200 -91.000 TRP 327 1.040 34.006 60.264 41.615 -99.200 -91.000 TRP6 327 1.020 32.571 58.428 41.975 -99.200 -91.000 TYR 329 0.840 30.435 69.775 36.655 -99.200 -91.000