============================================================================= 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. TYR 18 0.840 33.456 2.622 30.297 -99.200 -91.000 TYR 36 0.840 39.017 8.161 24.185 -99.200 -91.000 TYR 45 0.840 36.417 9.892 40.042 -99.200 -91.000 PHE 60 1.000 43.287 11.653 32.716 -99.200 -91.000 PHE 83 1.000 59.391 5.150 36.174 -99.200 -91.000 PHE 95 1.000 47.558 13.169 30.473 -99.200 -91.000 PHE 102 1.000 46.412 15.022 37.700 -99.200 -91.000 HIS 111 0.900 61.902 8.399 54.576 -99.200 -91.000 PHE 125 1.000 50.305 18.079 32.787 -99.200 -91.000 TYR 126 0.840 43.702 27.128 31.808 -99.200 -91.000 TYR 133 0.840 52.997 16.659 53.652 -99.200 -91.000 TYR 138 0.840 60.675 11.216 38.629 -99.200 -91.000 HIS 140 0.900 61.529 9.781 33.581 -99.200 -91.000 PHE 145 1.000 52.827 26.737 28.975 -99.200 -91.000 PHE 146 1.000 53.357 20.891 34.731 -99.200 -91.000 PHE 150 1.000 48.295 25.370 45.836 -99.200 -91.000 PHE 157 1.000 57.528 22.166 46.477 -99.200 -91.000 PHE 159 1.000 61.338 13.930 41.795 -99.200 -91.000 HIS 172 0.900 51.372 29.249 47.924 -99.200 -91.000 PHE 218 1.000 59.341 23.093 60.904 -99.200 -91.000 TYR 221 0.840 68.277 26.758 52.163 -99.200 -91.000 TRP 226 1.040 69.068 13.595 42.058 -99.200 -91.000 TRP6 226 1.020 67.190 12.967 40.753 -99.200 -91.000 TYR 229 0.840 78.048 19.062 33.335 -99.200 -91.000 TRP 248 1.040 69.824 29.449 44.187 -99.200 -91.000 TRP6 248 1.020 68.284 28.359 42.754 -99.200 -91.000 PHE 249 1.000 71.342 22.874 52.421 -99.200 -91.000 TRP 251 1.040 73.506 15.618 46.018 -99.200 -91.000 TRP6 251 1.020 71.190 15.186 46.239 -99.200 -91.000 PHE 255 1.000 77.546 16.040 42.362 -99.200 -91.000 TYR 261 0.840 72.620 29.633 33.511 -99.200 -91.000 TYR 262 0.840 70.967 25.502 40.865 -99.200 -91.000 TYR 265 0.840 65.576 39.589 33.065 -99.200 -91.000 TRP 280 1.040 77.452 27.664 45.923 -99.200 -91.000 TRP6 280 1.020 75.375 26.545 45.697 -99.200 -91.000 PHE 283 1.000 73.026 33.443 42.482 -99.200 -91.000 PHE 295 1.000 67.486 29.632 30.641 -99.200 -91.000 PHE 300 1.000 64.553 25.330 28.551 -99.200 -91.000 TRP 306 1.040 54.558 22.394 21.839 -99.200 -91.000 TRP6 306 1.020 53.744 21.782 23.980 -99.200 -91.000 PHE 312 1.000 44.873 23.005 28.354 -99.200 -91.000 PHE 314 1.000 49.887 30.183 23.073 -99.200 -91.000