============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 34 0.840 15.708 42.438 42.359 -99.200 -91.000 PHE 37 1.000 17.043 36.561 40.840 -99.200 -91.000 TYR 38 0.840 12.153 40.172 46.314 -99.200 -91.000 PHE 39 1.000 7.079 39.247 44.453 -99.200 -91.000 HIS 46 0.900 2.801 31.781 47.198 -99.200 -91.000 PHE 54 1.000 10.132 44.164 44.349 -99.200 -91.000 TYR 67 0.840 27.000 47.595 39.185 -99.200 -91.000 TYR 69 0.840 28.597 38.294 48.793 -99.200 -91.000 TYR 84 0.840 8.957 40.042 56.507 -99.200 -91.000 TRP 115 1.040 47.001 61.497 48.908 -99.200 -91.000 TRP6 115 1.020 47.864 60.106 50.602 -99.200 -91.000 HIS 124 0.900 44.048 60.892 62.141 -99.200 -91.000 TYR 140 0.840 43.029 43.266 62.679 -99.200 -91.000 TYR 151 0.840 52.703 54.177 62.797 -99.200 -91.000 TYR 155 0.840 38.962 58.252 64.426 -99.200 -91.000 TYR 158 0.840 31.246 47.361 62.634 -99.200 -91.000 PHE 163 1.000 22.551 58.898 60.378 -99.200 -91.000 PHE 196 1.000 17.146 38.758 48.553 -99.200 -91.000 HIS 203 0.900 5.552 42.133 58.032 -99.200 -91.000 PHE 213 1.000 17.575 49.854 51.532 -99.200 -91.000 PHE 235 1.000 33.487 68.334 45.211 -99.200 -91.000 TRP 239 1.040 28.300 75.436 59.670 -99.200 -91.000 TRP6 239 1.020 26.242 74.365 59.237 -99.200 -91.000 HIS 255 0.900 14.255 47.410 65.437 -99.200 -91.000 PHE 263 1.000 13.797 50.277 54.812 -99.200 -91.000 HIS 264 0.900 10.898 47.145 60.847 -99.200 -91.000 PHE 285 1.000 24.606 76.632 51.573 -99.200 -91.000 TYR 293 0.840 18.345 77.846 49.976 -99.200 -91.000 PHE 297 1.000 29.459 72.141 44.904 -99.200 -91.000 TRP 298 1.040 21.075 71.717 45.726 -99.200 -91.000 TRP6 298 1.020 19.693 70.979 47.492 -99.200 -91.000 HIS 301 0.900 21.089 58.095 50.865 -99.200 -91.000 TYR 332 0.840 27.117 53.299 40.443 -99.200 -91.000 PHE 342 1.000 29.656 54.375 44.367 -99.200 -91.000 TRP 365 1.040 30.252 79.592 48.617 -99.200 -91.000 TRP6 365 1.020 31.576 78.937 50.455 -99.200 -91.000 PHE 369 1.000 20.921 69.234 52.644 -99.200 -91.000 PHE 371 1.000 18.129 63.978 52.763 -99.200 -91.000