============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 11 1.000 9.582 12.395 39.385 -99.200 -91.000 PHE 40 1.000 11.468 17.205 26.353 -99.200 -91.000 PHE 42 1.000 14.619 13.438 31.136 -99.200 -91.000 TYR 51 0.840 15.080 13.803 25.497 -99.200 -91.000 PHE 67 1.000 24.642 21.055 16.836 -99.200 -91.000 PHE 77 1.000 23.649 2.499 30.643 -99.200 -91.000 PHE 81 1.000 24.721 -5.451 23.902 -99.200 -91.000 PHE 87 1.000 22.919 1.779 15.840 -99.200 -91.000 TRP 90 1.040 32.800 7.847 21.475 -99.200 -91.000 TRP6 90 1.020 31.213 9.458 22.225 -99.200 -91.000 HIS 92 0.900 36.160 10.840 19.033 -99.200 -91.000 TRP 96 1.040 32.065 5.456 11.958 -99.200 -91.000 TRP6 96 1.020 32.387 7.092 10.269 -99.200 -91.000 HIS 100 0.900 31.487 4.711 5.931 -99.200 -91.000 PHE 107 1.000 25.369 -3.247 4.301 -99.200 -91.000 TYR 115 0.840 24.075 -8.677 0.660 -99.200 -91.000 HIS 116 0.900 15.677 -10.494 -5.135 -99.200 -91.000 TRP 130 1.040 2.703 -16.431 8.216 -99.200 -91.000 TRP6 130 1.020 2.713 -14.122 7.658 -99.200 -91.000 HIS 138 0.900 -3.464 -16.821 16.973 -99.200 -91.000 PHE 158 1.000 27.174 -11.796 9.765 -99.200 -91.000 TYR 160 0.840 24.831 -19.720 12.355 -99.200 -91.000 PHE 162 1.000 21.210 -16.285 13.633 -99.200 -91.000 PHE 165 1.000 10.216 -18.107 9.260 -99.200 -91.000 TYR 166 0.840 13.466 -25.712 9.495 -99.200 -91.000 HIS 171 0.900 18.899 -18.709 17.476 -99.200 -91.000 PHE 173 1.000 22.263 -12.769 18.461 -99.200 -91.000 TYR 198 0.840 19.593 -1.418 40.500 -99.200 -91.000 PHE 205 1.000 24.268 -5.848 29.801 -99.200 -91.000 HIS 236 0.900 33.145 -7.320 1.041 -99.200 -91.000 TYR 256 0.840 33.759 -5.215 20.769 -99.200 -91.000 PHE 261 1.000 27.163 -4.319 9.860 -99.200 -91.000 HIS 266 0.900 17.264 -9.271 14.651 -99.200 -91.000 PHE 275 1.000 5.499 0.108 15.187 -99.200 -91.000 TYR 278 0.840 -1.599 -0.898 14.320 -99.200 -91.000 PHE 279 1.000 0.571 2.779 11.430 -99.200 -91.000 HIS 285 0.900 -11.320 2.396 1.492 -99.200 -91.000 TYR 305 0.840 18.064 -5.570 -7.007 -99.200 -91.000 TYR 313 0.840 -0.046 2.650 -2.071 -99.200 -91.000 TRP 325 1.040 3.988 4.321 15.858 -99.200 -91.000 TRP6 325 1.020 4.544 5.379 17.898 -99.200 -91.000 PHE 331 1.000 19.336 11.408 14.569 -99.200 -91.000 TYR 334 0.840 30.411 15.371 19.846 -99.200 -91.000 TYR 345 0.840 15.814 27.439 22.579 -99.200 -91.000 HIS 361 0.900 10.035 10.570 11.052 -99.200 -91.000 TRP 367 1.040 5.813 15.471 8.200 -99.200 -91.000 TRP6 367 1.020 6.514 14.000 6.472 -99.200 -91.000 PHE 374 1.000 0.253 3.512 6.925 -99.200 -91.000 PHE 379 1.000 7.013 9.249 3.390 -99.200 -91.000 HIS 388 0.900 19.084 17.529 7.398 -99.200 -91.000 PHE 390 1.000 10.871 9.220 6.112 -99.200 -91.000 PHE 393 1.000 16.129 3.760 6.941 -99.200 -91.000 PHE 405 1.000 20.393 -6.996 4.166 -99.200 -91.000 HIS 408 0.900 15.757 -5.723 -2.831 -99.200 -91.000 HIS 420 0.900 2.277 -16.186 -2.688 -99.200 -91.000 PHE 421 1.000 -0.224 -16.118 3.043 -99.200 -91.000 PHE 423 1.000 -1.685 -10.685 5.504 -99.200 -91.000 HIS 426 0.900 -7.251 -12.991 14.799 -99.200 -91.000 TYR 429 0.840 -2.184 -5.177 18.429 -99.200 -91.000 PHE 444 1.000 -0.486 -6.615 13.868 -99.200 -91.000