============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 2 1.000 35.766 74.021 225.268 -99.200 -91.000 TYR 18 0.840 44.596 71.810 239.179 -99.200 -91.000 HIS 52 0.900 49.002 81.957 242.456 -99.200 -91.000 PHE 54 1.000 42.856 82.397 245.902 -99.200 -91.000 HIS 61 0.900 25.703 87.966 259.358 -99.200 -91.000 HIS 63 0.900 22.683 92.312 258.202 -99.200 -91.000 PHE 64 1.000 24.837 93.218 249.799 -99.200 -91.000 TRP 72 1.040 19.717 102.301 255.338 -99.200 -91.000 TRP6 72 1.020 19.616 101.148 257.399 -99.200 -91.000 PHE 75 1.000 18.644 92.592 246.548 -99.200 -91.000 TYR 90 0.840 24.125 89.056 246.906 -99.200 -91.000 PHE 91 1.000 24.312 81.780 251.485 -99.200 -91.000 TYR 122 0.840 19.325 86.453 242.887 -99.200 -91.000 PHE 124 1.000 17.398 87.124 248.150 -99.200 -91.000 TRP 125 1.040 21.039 84.194 255.594 -99.200 -91.000 TRP6 125 1.020 21.460 82.331 256.986 -99.200 -91.000 HIS 135 0.900 3.606 83.866 257.598 -99.200 -91.000 HIS 140 0.900 12.898 73.629 253.102 -99.200 -91.000 PHE 147 1.000 13.545 78.721 257.931 -99.200 -91.000 PHE 150 1.000 19.614 89.937 264.878 -99.200 -91.000 PHE 159 1.000 14.939 89.778 262.467 -99.200 -91.000 PHE 161 1.000 14.467 89.687 273.009 -99.200 -91.000 HIS 163 0.900 9.248 84.484 273.385 -99.200 -91.000 HIS 184 0.900 23.456 89.762 266.770 -99.200 -91.000 TYR 209 0.840 29.836 99.028 271.689 -99.200 -91.000 PHE 228 1.000 16.485 76.921 274.407 -99.200 -91.000 HIS 237 0.900 26.803 80.027 260.475 -99.200 -91.000 HIS 240 0.900 27.133 88.700 264.003 -99.200 -91.000 HIS 267 0.900 33.931 92.955 261.442 -99.200 -91.000 TYR 268 0.840 33.840 90.239 265.119 -99.200 -91.000 PHE 271 1.000 39.926 97.392 261.241 -99.200 -91.000 PHE 276 1.000 35.183 99.567 268.793 -99.200 -91.000 TYR 281 0.840 31.187 108.036 267.202 -99.200 -91.000 TRP 299 1.040 44.665 86.811 263.426 -99.200 -91.000 TRP6 299 1.020 44.365 86.303 261.132 -99.200 -91.000 HIS 314 0.900 28.647 95.655 253.216 -99.200 -91.000 PHE 328 1.000 27.646 102.603 275.809 -99.200 -91.000 TRP 331 1.040 21.319 101.219 263.377 -99.200 -91.000 TRP6 331 1.020 22.137 99.487 261.978 -99.200 -91.000 TYR 349 0.840 50.264 83.711 250.834 -99.200 -91.000 HIS 350 0.900 51.011 88.236 250.572 -99.200 -91.000 PHE 371 1.000 24.297 77.833 255.236 -99.200 -91.000 TYR 374 0.840 31.803 69.797 247.887 -99.200 -91.000 PHE 388 1.000 36.365 79.710 236.834 -99.200 -91.000 TYR 397 0.840 45.194 96.239 247.198 -99.200 -91.000 TYR 405 0.840 33.851 99.523 242.109 -99.200 -91.000 TYR 406 0.840 31.810 98.922 250.685 -99.200 -91.000 HIS 408 0.900 25.149 105.642 251.998 -99.200 -91.000 TYR 413 0.840 38.005 96.009 256.739 -99.200 -91.000 PHE 418 1.000 42.998 95.971 252.477 -99.200 -91.000 HIS 424 0.900 40.769 90.157 234.197 -99.200 -91.000 HIS 431 0.900 36.174 89.140 232.309 -99.200 -91.000 TYR 433 0.840 36.192 94.171 239.770 -99.200 -91.000