============================================================================= 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 -10.640 12.581 -42.364 -99.200 -91.000 PHE 40 1.000 -8.605 7.635 -29.456 -99.200 -91.000 PHE 42 1.000 -5.234 11.735 -34.155 -99.200 -91.000 TYR 51 0.840 -4.922 11.110 -28.383 -99.200 -91.000 PHE 67 1.000 4.809 3.328 -20.418 -99.200 -91.000 PHE 77 1.000 3.277 22.525 -32.709 -99.200 -91.000 PHE 81 1.000 4.442 30.214 -25.517 -99.200 -91.000 PHE 87 1.000 2.857 22.484 -18.078 -99.200 -91.000 TRP 90 1.040 12.836 16.987 -24.312 -99.200 -91.000 TRP6 90 1.020 11.296 15.376 -25.116 -99.200 -91.000 HIS 92 0.900 16.318 14.152 -22.320 -99.200 -91.000 TRP 96 1.040 12.137 18.624 -14.644 -99.200 -91.000 TRP6 96 1.020 12.510 16.864 -13.091 -99.200 -91.000 HIS 100 0.900 11.635 18.613 -8.849 -99.200 -91.000 PHE 107 1.000 5.434 26.574 -6.159 -99.200 -91.000 TYR 115 0.840 4.067 31.661 -2.251 -99.200 -91.000 HIS 116 0.900 -4.328 33.077 3.732 -99.200 -91.000 TRP 130 1.040 -17.306 40.002 -9.029 -99.200 -91.000 TRP6 130 1.020 -17.305 37.659 -8.656 -99.200 -91.000 HIS 138 0.900 -23.541 40.978 -17.680 -99.200 -91.000 PHE 158 1.000 7.143 35.515 -11.044 -99.200 -91.000 TYR 160 0.840 4.691 43.609 -13.050 -99.200 -91.000 PHE 162 1.000 1.114 40.264 -14.505 -99.200 -91.000 PHE 165 1.000 -9.833 41.749 -9.991 -99.200 -91.000 TYR 166 0.840 -6.605 49.364 -9.721 -99.200 -91.000 HIS 171 0.900 -1.362 42.866 -18.312 -99.200 -91.000 PHE 173 1.000 2.074 37.180 -19.696 -99.200 -91.000 TYR 198 0.840 -0.548 27.010 -42.393 -99.200 -91.000 PHE 205 1.000 3.979 30.940 -31.429 -99.200 -91.000 HIS 236 0.900 13.095 30.572 -2.729 -99.200 -91.000 TYR 256 0.840 13.529 29.913 -22.638 -99.200 -91.000 PHE 261 1.000 7.109 28.118 -11.651 -99.200 -91.000 HIS 266 0.900 -2.887 33.371 -16.010 -99.200 -91.000 PHE 275 1.000 -14.588 24.012 -17.213 -99.200 -91.000 TYR 278 0.840 -21.608 24.847 -16.238 -99.200 -91.000 PHE 279 1.000 -19.425 21.064 -13.585 -99.200 -91.000 HIS 285 0.900 -31.416 20.774 -3.856 -99.200 -91.000 TYR 305 0.840 -1.900 28.076 5.178 -99.200 -91.000 TYR 313 0.840 -19.938 20.210 -0.250 -99.200 -91.000 TRP 325 1.040 -16.076 19.727 -18.217 -99.200 -91.000 TRP6 325 1.020 -15.490 18.810 -20.319 -99.200 -91.000 PHE 331 1.000 -0.656 12.751 -17.378 -99.200 -91.000 TYR 334 0.840 10.549 9.271 -23.163 -99.200 -91.000 TYR 345 0.840 -4.091 -2.795 -26.310 -99.200 -91.000 HIS 361 0.900 -9.917 13.225 -13.810 -99.200 -91.000 TRP 367 1.040 -14.116 8.364 -11.246 -99.200 -91.000 TRP6 367 1.020 -13.351 9.533 -9.329 -99.200 -91.000 PHE 374 1.000 -19.705 19.977 -9.137 -99.200 -91.000 PHE 379 1.000 -13.010 14.010 -5.859 -99.200 -91.000 HIS 388 0.900 -0.641 6.169 -10.640 -99.200 -91.000 PHE 390 1.000 -9.079 14.200 -8.834 -99.200 -91.000 PHE 393 1.000 -3.862 19.816 -9.339 -99.200 -91.000 PHE 405 1.000 0.342 30.348 -5.743 -99.200 -91.000 HIS 408 0.900 -4.268 28.497 1.144 -99.200 -91.000 HIS 420 0.900 -17.756 38.963 1.852 -99.200 -91.000 PHE 421 1.000 -20.257 39.275 -3.911 -99.200 -91.000 PHE 423 1.000 -21.646 34.080 -6.696 -99.200 -91.000 HIS 426 0.900 -27.229 36.969 -15.828 -99.200 -91.000 TYR 429 0.840 -22.278 29.432 -20.017 -99.200 -91.000 PHE 444 1.000 -20.535 30.552 -15.388 -99.200 -91.000