============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TYR 4 0.840 38.146 -2.037 33.934 -99.200 -91.000 PHE 18 1.000 22.303 -10.181 23.466 -99.200 -91.000 PHE 34 1.000 14.419 -6.189 24.010 -99.200 -91.000 TYR 43 0.840 19.058 -9.942 35.164 -99.200 -91.000 PHE 50 1.000 26.937 -1.490 27.255 -99.200 -91.000 PHE 53 1.000 16.624 1.752 23.142 -99.200 -91.000 TRP 57 1.040 20.150 14.118 12.766 -99.200 -91.000 TRP6 57 1.020 21.565 14.494 10.930 -99.200 -91.000 TYR 67 0.840 16.605 19.679 18.476 -99.200 -91.000 TYR 71 0.840 13.348 8.764 19.145 -99.200 -91.000 TRP 81 1.040 10.292 -0.833 29.421 -99.200 -91.000 TRP6 81 1.020 10.129 -1.587 27.197 -99.200 -91.000 TYR 82 0.840 17.342 -2.143 28.087 -99.200 -91.000 TYR 87 0.840 19.862 -5.276 31.448 -99.200 -91.000 HIS 94 0.900 22.979 1.461 14.097 -99.200 -91.000 TYR 98 0.840 23.518 10.836 5.262 -99.200 -91.000 TRP 122 1.040 15.634 17.336 8.373 -99.200 -91.000 TRP6 122 1.020 17.698 18.242 9.096 -99.200 -91.000 TYR 125 0.840 20.692 18.586 1.420 -99.200 -91.000 TRP 137 1.040 23.977 -4.827 5.342 -99.200 -91.000 TRP6 137 1.020 25.280 -3.051 6.219 -99.200 -91.000 TYR 140 0.840 21.952 -0.912 -1.385 -99.200 -91.000 TYR 141 0.840 28.293 2.202 4.673 -99.200 -91.000 PHE 150 1.000 27.796 8.160 4.975 -99.200 -91.000 PHE 153 1.000 26.912 14.315 8.960 -99.200 -91.000 TRP 154 1.040 31.509 12.710 6.778 -99.200 -91.000 TRP6 154 1.020 31.416 12.701 9.134 -99.200 -91.000 HIS 160 0.900 24.095 20.640 1.656 -99.200 -91.000 HIS 166 0.900 20.253 21.670 11.294 -99.200 -91.000 TYR 167 0.840 25.319 13.170 14.129 -99.200 -91.000 TRP 171 1.040 24.799 12.516 19.419 -99.200 -91.000 TRP6 171 1.020 24.136 11.064 21.156 -99.200 -91.000 PHE 178 1.000 17.316 9.736 27.531 -99.200 -91.000 TYR 187 0.840 24.636 11.042 26.357 -99.200 -91.000 PHE 194 1.000 31.752 5.004 3.267 -99.200 -91.000 PHE 203 1.000 35.470 10.067 7.919 -99.200 -91.000 TYR 212 0.840 33.601 10.901 16.622 -99.200 -91.000 TRP 227 1.040 33.268 7.553 30.720 -99.200 -91.000 TRP6 227 1.020 32.433 7.350 32.920 -99.200 -91.000 TYR 260 0.840 38.822 3.505 19.705 -99.200 -91.000 HIS 263 0.900 30.623 -0.940 15.724 -99.200 -91.000 TYR 265 0.840 30.632 -6.647 12.761 -99.200 -91.000 HIS 275 0.900 37.102 -18.666 14.082 -99.200 -91.000 TRP 290 1.040 39.217 -4.681 16.672 -99.200 -91.000 TRP6 290 1.020 38.719 -5.144 18.924 -99.200 -91.000 HIS 296 0.900 48.513 3.985 18.377 -99.200 -91.000 PHE 311 1.000 31.463 -10.567 19.280 -99.200 -91.000 TYR 323 0.840 34.322 -14.204 15.680 -99.200 -91.000 TYR 328 0.840 31.081 -11.993 24.569 -99.200 -91.000 TYR 340 0.840 26.307 -11.607 19.273 -99.200 -91.000 TRP 341 1.040 24.067 -6.471 14.470 -99.200 -91.000 TRP6 341 1.020 23.256 -4.298 14.844 -99.200 -91.000 TRP 348 1.040 24.004 -12.786 11.768 -99.200 -91.000 TRP6 348 1.020 25.761 -11.199 11.793 -99.200 -91.000 TYR 351 0.840