============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 17 1.000 -24.680 -25.150 26.331 -99.200 -91.000 TRP 21 1.040 -17.941 -33.954 27.478 -99.200 -91.000 TRP6 21 1.020 -15.618 -33.536 27.382 -99.200 -91.000 HIS 22 0.900 -17.325 -29.452 23.562 -99.200 -91.000 PHE 28 1.000 -15.190 -36.561 36.449 -99.200 -91.000 TRP 39 1.040 -19.445 -18.248 24.387 -99.200 -91.000 TRP6 39 1.020 -20.315 -20.421 24.735 -99.200 -91.000 TYR 40 0.840 -22.807 -16.132 31.087 -99.200 -91.000 TYR 59 0.840 -21.609 -26.102 0.653 -99.200 -91.000 PHE 68 1.000 -19.128 -22.387 3.201 -99.200 -91.000 TRP 73 1.040 -9.993 -24.566 -4.683 -99.200 -91.000 TRP6 73 1.020 -11.211 -23.308 -6.275 -99.200 -91.000 PHE 75 1.000 -6.510 -26.286 -2.862 -99.200 -91.000 TYR 90 0.840 -15.662 -39.491 9.565 -99.200 -91.000 HIS 91 0.900 -11.164 -35.750 11.040 -99.200 -91.000 PHE 107 1.000 -29.058 -29.405 13.094 -99.200 -91.000 TYR 114 0.840 -22.136 -17.799 20.754 -99.200 -91.000 TYR 139 0.840 -8.711 -20.638 -1.698 -99.200 -91.000 TYR 147 0.840 -5.125 -21.003 6.615 -99.200 -91.000 TRP 151 1.040 -4.889 -31.743 7.809 -99.200 -91.000 TRP6 151 1.020 -2.783 -31.375 6.788 -99.200 -91.000 HIS 159 0.900 4.040 -44.013 8.235 -99.200 -91.000 TYR 186 0.840 -0.583 -21.954 8.841 -99.200 -91.000 PHE 188 1.000 -0.955 -28.959 10.935 -99.200 -91.000 TYR 202 0.840 10.213 -40.095 16.401 -99.200 -91.000 TYR 205 0.840 2.470 -32.071 7.296 -99.200 -91.000 TYR 210 0.840 7.442 -21.198 10.411 -99.200 -91.000 HIS 219 0.900 -15.852 -37.586 31.123 -99.200 -91.000 HIS 223 0.900 -1.846 -39.495 27.863 -99.200 -91.000 TYR 226 0.840 -7.200 -39.939 22.146 -99.200 -91.000 TYR 238 0.840 -11.249 -30.149 28.869 -99.200 -91.000 TYR 245 0.840 -17.129 -41.785 22.385 -99.200 -91.000 HIS 247 0.900 -21.673 -35.987 23.217 -99.200 -91.000 HIS 259 0.900 -14.931 -34.781 15.985 -99.200 -91.000 TYR 273 0.840 -5.289 -20.559 19.691 -99.200 -91.000 TRP 285 1.040 4.177 -15.714 13.338 -99.200 -91.000 TRP6 285 1.020 5.498 -17.581 13.947 -99.200 -91.000 TYR 290 0.840 6.654 -14.906 23.543 -99.200 -91.000 TRP 307 1.040 3.092 -31.925 34.816 -99.200 -91.000 TRP6 307 1.020 2.361 -30.210 33.360 -99.200 -91.000 TYR 316 0.840 6.836 -28.618 27.370 -99.200 -91.000 HIS 318 0.900 9.210 -33.334 26.770 -99.200 -91.000 TYR 320 0.840 -1.092 -34.268 31.121 -99.200 -91.000 PHE 322 1.000 5.386 -24.231 28.119 -99.200 -91.000 HIS 328 0.900 -12.630 -14.880 32.407 -99.200 -91.000 TRP 337 1.040 1.252 -10.350 24.619 -99.200 -91.000 TRP6 337 1.020 2.591 -11.536 26.165 -99.200 -91.000 TRP 345 1.040 17.192 -16.799 11.498 -99.200 -91.000 TRP6 345 1.020 15.255 -15.680 10.720 -99.200 -91.000 PHE 346 1.000 24.091 -17.802 17.586 -99.200 -91.000 TYR 347 0.840 19.308 -20.515 11.083 -99.200 -91.000 TYR 352 0.840 29.911 -32.409 9.320 -99.200 -91.000 PHE 380 1.000 17.992 -15.978 20.031 -99.200 -91.000 HIS 385 0.900 8.643 -21.694 18.041 -99.200 -91.000 PHE 427 1.000 15.694 -40.705 14.200 -99.200 -91.000 TRP 430 1.040 12.870 -35.812 12.147 -99.200 -91.000 TRP6 430 1.020 11.057 -35.594 10.631 -99.200 -91.000 PHE 432 1.000 14.361 -35.830 16.453 -99.200 -91.000 HIS 437 0.900 15.418 -26.544 25.740 -99.200 -91.000 TRP 438 1.040 8.337 -19.236 24.293 -99.200 -91.000 TRP6 438 1.020 7.357 -19.937 22.244 -99.200 -91.000 TRP 446 1.040 22.157 -24.252 24.389 -99.200 -91.000 TRP6 446 1.020 19.828 -24.584 24.626 -99.200 -91.000 HIS 457 0.900 18.222 -53.269 18.418 -99.200 -91.000 PHE 461 1.000 25.086 -37.211 17.234 -99.200 -91.000 HIS 462 0.900 26.681 -40.875 9.999 -99.200 -91.000 TRP 464 1.040 25.168 -31.905 17.616 -99.200 -91.000 TRP6 464 1.020 24.274 -30.464 19.280 -99.200 -91.000 PHE 469 1.000 14.145 -21.219 14.030 -99.200 -91.000