============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 12 0.840 6.160 14.333 9.852 -99.200 -91.000 PHE 18 1.000 -1.684 -6.029 -2.396 -99.200 -91.000 HIS 20 0.900 -10.639 -4.064 -4.370 -99.200 -91.000 TYR 38 0.840 5.318 16.411 17.235 -99.200 -91.000 PHE 41 1.000 -2.006 14.077 26.331 -99.200 -91.000 PHE 65 1.000 8.897 16.568 20.831 -99.200 -91.000 PHE 75 1.000 13.655 8.284 35.225 -99.200 -91.000 TRP 87 1.040 12.477 14.577 24.182 -99.200 -91.000 TRP6 87 1.020 12.669 12.475 25.219 -99.200 -91.000 PHE 89 1.000 8.297 15.039 25.919 -99.200 -91.000 TYR 104 0.840 -6.718 14.877 28.333 -99.200 -91.000 PHE 111 1.000 -1.705 9.833 29.147 -99.200 -91.000 TYR 112 0.840 3.464 2.589 32.044 -99.200 -91.000 PHE 131 1.000 -9.106 4.481 1.420 -99.200 -91.000 HIS 134 0.900 -13.560 -3.280 6.336 -99.200 -91.000 TYR 146 0.840 18.004 1.343 15.844 -99.200 -91.000 PHE 147 1.000 12.578 -0.067 18.349 -99.200 -91.000 TYR 180 0.840 11.107 0.829 -4.152 -99.200 -91.000 HIS 188 0.900 24.468 -10.017 -1.818 -99.200 -91.000 PHE 192 1.000 21.385 7.594 2.422 -99.200 -91.000 PHE 199 1.000 22.325 7.950 7.287 -99.200 -91.000 PHE 211 1.000 13.381 -9.415 2.815 -99.200 -91.000 HIS 221 0.900 20.140 10.958 19.569 -99.200 -91.000 PHE 227 1.000 19.322 17.104 7.175 -99.200 -91.000 HIS 234 0.900 21.182 31.716 6.678 -99.200 -91.000 PHE 235 1.000 15.983 31.873 7.270 -99.200 -91.000 PHE 239 1.000 14.283 39.379 14.499 -99.200 -91.000 HIS 243 0.900 14.458 43.262 12.234 -99.200 -91.000 TYR 282 0.840 12.532 39.073 20.165 -99.200 -91.000 PHE 287 1.000 13.257 36.611 9.683 -99.200 -91.000 TYR 288 0.840 5.834 38.641 5.430 -99.200 -91.000 PHE 296 1.000 18.128 22.601 3.289 -99.200 -91.000 PHE 304 1.000 21.871 18.056 3.181 -99.200 -91.000 HIS 326 0.900 22.530 -8.621 -6.797 -99.200 -91.000 TYR 347 0.840 29.900 5.576 -1.316 -99.200 -91.000 PHE 348 1.000 25.907 2.892 -3.282 -99.200 -91.000 TYR 365 0.840 3.724 0.320 -2.120 -99.200 -91.000