============================================================================= 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 16 1.000 -5.003 15.167 14.133 -99.200 -91.000 PHE 26 1.000 -0.881 9.708 26.637 -99.200 -91.000 TYR 36 0.840 -5.808 12.924 39.407 -99.200 -91.000 TYR 52 0.840 3.450 1.293 34.845 -99.200 -91.000 TRP 61 1.040 -10.366 -5.204 28.292 -99.200 -91.000 TRP6 61 1.020 -9.604 -4.620 26.130 -99.200 -91.000 TRP 68 1.040 -7.463 3.567 23.531 -99.200 -91.000 TRP6 68 1.020 -8.507 1.457 23.754 -99.200 -91.000 HIS 69 0.900 -11.798 11.377 28.580 -99.200 -91.000 HIS 70 0.900 -4.374 12.297 29.298 -99.200 -91.000 PHE 72 1.000 -9.873 8.818 20.773 -99.200 -91.000 TYR 73 0.840 -13.212 13.343 24.302 -99.200 -91.000 HIS 83 0.900 -10.767 13.642 13.447 -99.200 -91.000 PHE 106 1.000 -16.944 0.695 15.041 -99.200 -91.000 PHE 109 1.000 -13.079 6.349 23.883 -99.200 -91.000 TYR 115 0.840 -7.053 -2.214 8.941 -99.200 -91.000 TYR 125 0.840 2.363 -2.934 5.892 -99.200 -91.000 HIS 143 0.900 6.491 -9.491 21.369 -99.200 -91.000 TYR 148 0.840 6.545 -15.298 1.997 -99.200 -91.000 TYR 151 0.840 -0.169 -15.209 8.601 -99.200 -91.000 HIS 155 0.900 4.744 -20.912 12.095 -99.200 -91.000 TYR 170 0.840 22.806 -4.183 34.105 -99.200 -91.000 TYR 180 0.840 29.342 8.702 39.383 -99.200 -91.000 PHE 182 1.000 22.629 8.844 38.964 -99.200 -91.000 TYR 200 0.840 29.576 2.421 23.057 -99.200 -91.000 PHE 205 1.000 30.358 -6.906 27.720 -99.200 -91.000 TYR 222 0.840 23.794 13.314 31.915 -99.200 -91.000 PHE 237 1.000 31.655 -1.232 26.968 -99.200 -91.000 PHE 244 1.000 23.074 -7.726 21.004 -99.200 -91.000 PHE 248 1.000 26.153 -8.606 30.875 -99.200 -91.000 HIS 257 0.900 22.975 -13.161 20.504 -99.200 -91.000 TYR 261 0.840 20.130 -19.887 13.872 -99.200 -91.000 TYR 276 0.840 19.276 -16.275 7.901 -99.200 -91.000 TYR 288 0.840 20.299 1.288 23.960 -99.200 -91.000 TYR 319 0.840 8.417 8.802 18.277 -99.200 -91.000 TRP 322 1.040 1.586 7.589 15.378 -99.200 -91.000 TRP6 322 1.020 1.903 9.166 13.658 -99.200 -91.000 PHE 334 1.000 -5.569 -0.012 -1.406 -99.200 -91.000 TRP 338 1.040 -10.460 3.875 6.926 -99.200 -91.000 TRP6 338 1.020 -9.198 4.081 8.920 -99.200 -91.000 TYR 344 0.840 -19.714 -2.686 16.611 -99.200 -91.000 HIS 353 0.900 -11.840 -11.600 15.398 -99.200 -91.000