============================================================================= 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. PHE 9 1.000 55.137 32.858 -7.401 -99.200 -91.000 TYR 25 0.840 48.402 44.030 4.543 -99.200 -91.000 TRP 40 1.040 44.871 36.919 -10.322 -99.200 -91.000 TRP6 40 1.020 45.731 35.969 -8.339 -99.200 -91.000 PHE 45 1.000 44.338 40.290 -29.190 -99.200 -91.000 TRP 63 1.040 30.523 32.718 -14.372 -99.200 -91.000 TRP6 63 1.020 28.904 34.191 -15.269 -99.200 -91.000 HIS 69 0.900 36.738 51.448 -18.650 -99.200 -91.000 TYR 73 0.840 33.050 56.276 -22.720 -99.200 -91.000 TRP 75 1.040 35.343 57.757 -26.844 -99.200 -91.000 TRP6 75 1.020 37.069 56.777 -25.564 -99.200 -91.000 PHE 79 1.000 34.629 46.325 -28.405 -99.200 -91.000 HIS 91 0.900 55.827 36.571 -18.206 -99.200 -91.000 TYR 96 0.840 48.909 30.582 -29.792 -99.200 -91.000 TYR 110 0.840 25.169 37.576 -18.108 -99.200 -91.000 HIS 112 0.900 25.509 47.540 -11.363 -99.200 -91.000 TYR 115 0.840 29.150 51.525 -17.501 -99.200 -91.000 TRP 117 1.040 26.439 55.014 -20.298 -99.200 -91.000 TRP6 117 1.020 26.000 56.818 -21.762 -99.200 -91.000 PHE 136 1.000 40.600 26.604 -12.492 -99.200 -91.000 TYR 139 0.840 52.556 28.009 -16.897 -99.200 -91.000 HIS 141 0.900 44.548 28.505 -8.808 -99.200 -91.000 TYR 158 0.840 46.201 48.189 5.899 -99.200 -91.000 TRP 165 1.040 50.514 41.571 -20.911 -99.200 -91.000 TRP6 165 1.020 48.635 40.278 -20.310 -99.200 -91.000 PHE 203 1.000 39.788 50.459 -4.407 -99.200 -91.000 TYR 207 0.840 53.927 54.421 -4.208 -99.200 -91.000 PHE 226 1.000 44.563 47.668 -5.372 -99.200 -91.000 PHE 232 1.000 43.843 38.437 9.087 -99.200 -91.000 TRP 236 1.040 48.009 36.501 -3.997 -99.200 -91.000 TRP6 236 1.020 49.209 38.541 -3.937 -99.200 -91.000 TYR 237 0.840 40.337 36.888 -0.084 -99.200 -91.000 TRP 244 1.040 37.204 56.875 -13.032 -99.200 -91.000 TRP6 244 1.020 37.848 59.041 -12.326 -99.200 -91.000 TYR 254 0.840 46.568 60.677 -5.225 -99.200 -91.000 PHE 256 1.000 39.902 58.520 -8.379 -99.200 -91.000 TYR 257 0.840 43.081 50.954 -9.133 -99.200 -91.000 HIS 259 0.900 34.618 49.001 -2.043 -99.200 -91.000 PHE 261 1.000 31.865 43.393 0.829 -99.200 -91.000 TRP 266 1.040 25.360 43.341 -11.329 -99.200 -91.000 TRP6 266 1.020 27.202 42.615 -12.615 -99.200 -91.000 PHE 274 1.000 22.146 34.174 -16.356 -99.200 -91.000