============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 27.278 1.392 1.269 -99.200 -91.000 PHE 34 1.000 33.362 2.673 10.089 -99.200 -91.000 TRP 42 1.040 43.929 -3.209 6.291 -99.200 -91.000 TRP6 42 1.020 44.518 -2.201 4.240 -99.200 -91.000 PHE 44 1.000 46.426 2.027 0.436 -99.200 -91.000 TYR 59 0.840 48.670 6.943 11.159 -99.200 -91.000 TRP 75 1.040 49.288 -4.800 9.769 -99.200 -91.000 TRP6 75 1.020 47.850 -4.862 7.902 -99.200 -91.000 TYR 79 0.840 40.698 -8.129 4.096 -99.200 -91.000 TYR 89 0.840 53.676 3.392 13.494 -99.200 -91.000 PHE 115 1.000 43.007 -4.115 0.142 -99.200 -91.000 PHE 129 1.000 31.490 -10.816 18.021 -99.200 -91.000 PHE 143 1.000 36.136 3.360 17.126 -99.200 -91.000 PHE 144 1.000 30.763 -2.474 19.554 -99.200 -91.000 PHE 156 1.000 28.854 -2.317 15.104 -99.200 -91.000 TYR 162 0.840 19.004 1.214 -4.688 -99.200 -91.000 HIS 163 0.900 22.059 2.821 -6.616 -99.200 -91.000 TYR 168 0.840 28.807 1.786 9.219 -99.200 -91.000 PHE 170 1.000 30.708 2.935 15.785 -99.200 -91.000 PHE 172 1.000 22.752 7.426 18.548 -99.200 -91.000 TYR 178 0.840 13.774 1.354 14.766 -99.200 -91.000 TYR 184 0.840 17.215 -6.011 19.312 -99.200 -91.000 PHE 193 1.000 33.895 -14.529 10.272 -99.200 -91.000 TRP 194 1.040 29.320 -8.527 14.571 -99.200 -91.000 TRP6 194 1.020 28.088 -8.081 16.534 -99.200 -91.000 TRP 196 1.040 22.246 -13.147 10.696 -99.200 -91.000 TRP6 196 1.020 19.989 -13.164 10.006 -99.200 -91.000 TYR 201 0.840 14.492 -19.513 -0.051 -99.200 -91.000 PHE 208 1.000 9.961 -16.957 5.151 -99.200 -91.000 TYR 225 0.840 29.078 -13.554 -2.414 -99.200 -91.000 TYR 234 0.840 16.470 -13.099 -7.048 -99.200 -91.000 TRP 235 1.040 20.303 -15.113 -9.664 -99.200 -91.000 TRP6 235 1.020 19.911 -12.944 -10.502 -99.200 -91.000 TYR 250 0.840 22.859 -18.256 -10.633 -99.200 -91.000 PHE 252 1.000 20.088 -8.741 -13.967 -99.200 -91.000 PHE 261 1.000 16.478 -13.870 -1.100 -99.200 -91.000 PHE 263 1.000 17.344 -10.424 5.232 -99.200 -91.000 TYR 276 0.840 17.584 -1.676 -2.069 -99.200 -91.000 PHE 279 1.000 25.435 -4.945 -6.581 -99.200 -91.000 PHE 288 1.000 28.452 -10.528 -10.859 -99.200 -91.000 PHE 302 1.000 21.823 -13.399 5.386 -99.200 -91.000 PHE 311 1.000 18.485 1.161 13.101 -99.200 -91.000 PHE 314 1.000 26.175 -5.213 12.757 -99.200 -91.000 PHE 324 1.000 19.311 -8.475 10.294 -99.200 -91.000