============================================================================= 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. PHE 4 1.000 15.105 -1.117 27.515 -99.200 -91.000 PHE 6 1.000 21.504 -2.492 23.962 -99.200 -91.000 PHE 32 1.000 16.149 7.327 10.630 -99.200 -91.000 TYR 62 0.840 4.766 22.500 20.421 -99.200 -91.000 HIS 63 0.900 4.301 19.518 16.085 -99.200 -91.000 HIS 80 0.900 1.752 2.130 20.659 -99.200 -91.000 PHE 82 1.000 -5.733 9.812 16.865 -99.200 -91.000 TRP 85 1.040 4.468 1.774 15.050 -99.200 -91.000 TRP6 85 1.020 5.648 1.104 13.144 -99.200 -91.000 TYR 96 0.840 14.831 21.620 19.222 -99.200 -91.000 PHE 114 1.000 3.593 25.158 25.634 -99.200 -91.000 HIS 127 0.900 -0.005 6.365 31.752 -99.200 -91.000 PHE 137 1.000 10.046 19.422 29.856 -99.200 -91.000 TYR 143 0.840 27.785 24.765 18.336 -99.200 -91.000 TRP 160 1.040 13.566 20.654 35.141 -99.200 -91.000 TRP6 160 1.020 13.196 21.871 33.142 -99.200 -91.000 PHE 168 1.000 8.953 5.057 33.302 -99.200 -91.000 PHE 181 1.000 16.177 4.722 25.918 -99.200 -91.000 PHE 189 1.000 31.730 24.154 26.536 -99.200 -91.000 PHE 205 1.000 17.188 8.462 33.723 -99.200 -91.000 TYR 208 0.840 21.988 5.840 30.918 -99.200 -91.000 PHE 223 1.000 31.135 11.914 12.732 -99.200 -91.000 PHE 228 1.000 34.302 15.392 24.655 -99.200 -91.000 HIS 239 0.900 25.930 3.702 24.610 -99.200 -91.000 TYR 240 0.840 17.017 8.815 20.723 -99.200 -91.000 PHE 261 1.000 22.387 6.735 14.702 -99.200 -91.000 PHE 276 1.000 19.050 11.434 2.142 -99.200 -91.000 TRP 278 1.040 23.080 2.159 -1.519 -99.200 -91.000 TRP6 278 1.020 23.472 2.197 0.807 -99.200 -91.000 PHE 289 1.000 18.364 13.387 -11.379 -99.200 -91.000 HIS 301 0.900 17.784 -5.017 -2.182 -99.200 -91.000 TRP 308 1.040 5.566 4.272 -10.025 -99.200 -91.000 TRP6 308 1.020 5.111 3.218 -7.952 -99.200 -91.000 TYR 312 0.840 4.745 8.689 -12.198 -99.200 -91.000 HIS 314 0.900 12.250 16.273 -13.504 -99.200 -91.000 HIS 315 0.900 4.326 14.716 -14.339 -99.200 -91.000 HIS 331 0.900 15.013 5.731 -2.528 -99.200 -91.000 PHE 335 1.000 20.348 5.302 0.939 -99.200 -91.000 TYR 336 0.840 18.206 8.295 6.555 -99.200 -91.000 PHE 352 1.000 30.279 0.297 11.369 -99.200 -91.000 PHE 355 1.000 28.328 -0.122 5.266 -99.200 -91.000 PHE 359 1.000 27.669 5.774 3.614 -99.200 -91.000 TYR 363 0.840 25.895 9.614 1.091 -99.200 -91.000 PHE 364 1.000 30.926 11.754 2.276 -99.200 -91.000