============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 39 0.900 3.675 24.467 22.078 -99.200 -91.000 HIS 42 0.900 -4.682 18.357 17.598 -99.200 -91.000 PHE 44 1.000 -0.678 12.591 19.492 -99.200 -91.000 TYR 49 0.840 3.868 8.212 20.447 -99.200 -91.000 TYR 53 0.840 3.890 4.218 16.490 -99.200 -91.000 PHE 54 1.000 2.868 -0.797 18.898 -99.200 -91.000 HIS 61 0.900 -1.841 -6.777 14.262 -99.200 -91.000 PHE 69 1.000 6.825 2.771 20.435 -99.200 -91.000 HIS 71 0.900 12.348 -1.432 28.984 -99.200 -91.000 TYR 82 0.840 2.868 20.651 23.232 -99.200 -91.000 PHE 83 1.000 3.688 14.039 17.586 -99.200 -91.000 TYR 85 0.840 0.402 13.257 14.055 -99.200 -91.000 PHE 89 1.000 -4.678 16.089 9.859 -99.200 -91.000 TYR 93 0.840 -4.385 12.830 5.450 -99.200 -91.000 TYR 99 0.840 7.648 -0.604 7.277 -99.200 -91.000 TRP 130 1.040 14.869 42.744 16.272 -99.200 -91.000 TRP6 130 1.020 14.156 43.121 14.039 -99.200 -91.000 HIS 139 0.900 20.979 38.812 5.089 -99.200 -91.000 PHE 142 1.000 10.827 27.552 7.137 -99.200 -91.000 PHE 155 1.000 7.355 32.529 -2.852 -99.200 -91.000 HIS 164 0.900 11.821 45.500 0.976 -99.200 -91.000 TYR 170 0.840 20.949 33.139 3.062 -99.200 -91.000 TYR 173 0.840 13.296 22.563 1.418 -99.200 -91.000 TYR 177 0.840 23.467 17.968 9.787 -99.200 -91.000 TYR 185 0.840 23.098 27.925 5.850 -99.200 -91.000 HIS 217 0.900 12.905 0.569 9.219 -99.200 -91.000 PHE 227 1.000 13.149 11.840 14.981 -99.200 -91.000 PHE 249 1.000 22.446 32.855 24.868 -99.200 -91.000 HIS 267 0.900 22.246 5.684 5.299 -99.200 -91.000 HIS 269 0.900 18.146 6.492 2.518 -99.200 -91.000 PHE 277 1.000 15.427 7.778 12.677 -99.200 -91.000 TYR 278 0.840 16.199 2.785 6.463 -99.200 -91.000 PHE 299 1.000 36.131 26.516 23.815 -99.200 -91.000 TRP 310 1.040 35.492 19.463 28.103 -99.200 -91.000 TRP6 310 1.020 35.906 21.059 26.385 -99.200 -91.000 PHE 314 1.000 26.481 29.708 27.397 -99.200 -91.000 TRP 315 1.040 28.274 22.361 28.523 -99.200 -91.000 TRP6 315 1.020 29.730 21.716 26.768 -99.200 -91.000 HIS 318 0.900 18.898 17.537 18.252 -99.200 -91.000 PHE 339 1.000 24.925 17.876 28.197 -99.200 -91.000 TRP 347 1.040 9.071 15.872 31.703 -99.200 -91.000 TRP6 347 1.020 9.041 13.510 31.996 -99.200 -91.000 TYR 349 0.840 8.111 22.577 24.807 -99.200 -91.000 TYR 359 0.840 10.328 24.769 21.468 -99.200 -91.000 TYR 376 0.840 20.248 37.820 28.469 -99.200 -91.000 TRP 382 1.040 34.070 32.713 26.645 -99.200 -91.000 TRP6 382 1.020 34.133 33.196 24.321 -99.200 -91.000 PHE 388 1.000 25.247 16.174 19.639 -99.200 -91.000 HIS 400 0.900 31.076 36.788 25.636 -99.200 -91.000