============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 4 0.840 -19.028 -68.529 -21.228 -99.200 -91.000 TRP 13 1.040 -18.321 -70.869 -5.622 -99.200 -91.000 TRP6 13 1.020 -19.963 -71.129 -3.933 -99.200 -91.000 PHE 19 1.000 -15.999 -82.694 1.296 -99.200 -91.000 TRP 22 1.040 -18.913 -78.735 4.909 -99.200 -91.000 TRP6 22 1.020 -19.904 -80.780 4.263 -99.200 -91.000 TRP 33 1.040 -19.827 -77.858 22.422 -99.200 -91.000 TRP6 33 1.020 -21.712 -77.725 23.865 -99.200 -91.000 HIS 50 0.900 -2.407 -84.282 16.844 -99.200 -91.000 PHE 53 1.000 -10.873 -82.465 4.371 -99.200 -91.000 TYR 59 0.840 -15.921 -87.120 -2.966 -99.200 -91.000 HIS 67 0.900 -26.280 -87.003 6.406 -99.200 -91.000 PHE 72 1.000 -15.986 -82.867 7.386 -99.200 -91.000 TRP 88 1.040 -14.825 -84.349 23.511 -99.200 -91.000 TRP6 88 1.020 -16.673 -84.543 24.972 -99.200 -91.000 HIS 90 0.900 -22.169 -82.828 13.188 -99.200 -91.000 TYR 91 0.840 -21.402 -82.925 23.210 -99.200 -91.000 TYR 105 0.840 -14.731 -68.980 5.708 -99.200 -91.000 PHE 121 1.000 -18.650 -52.194 -15.535 -99.200 -91.000 HIS 132 0.900 -14.492 -40.930 -25.315 -99.200 -91.000 TYR 134 0.840 -17.387 -30.509 -22.107 -99.200 -91.000 HIS 142 0.900 -40.186 -43.768 -28.428 -99.200 -91.000 HIS 145 0.900 -30.133 -39.174 -35.624 -99.200 -91.000 PHE 151 1.000 -19.317 -43.664 -25.469 -99.200 -91.000 TRP 158 1.040 -24.108 -47.209 -19.510 -99.200 -91.000 TRP6 158 1.020 -22.716 -47.976 -21.254 -99.200 -91.000 TYR 159 0.840 -19.221 -42.837 -11.270 -99.200 -91.000 PHE 169 1.000 -22.085 -57.930 -3.961 -99.200 -91.000 TYR 188 0.840 -29.614 -71.148 20.008 -99.200 -91.000 PHE 194 1.000 -18.795 -68.682 24.083 -99.200 -91.000 TYR 198 0.840 -14.627 -69.601 19.910 -99.200 -91.000 HIS 220 0.900 -29.361 -68.554 1.553 -99.200 -91.000 HIS 222 0.900 -31.576 -58.448 -0.408 -99.200 -91.000 TYR 223 0.840 -25.410 -63.734 -2.975 -99.200 -91.000 PHE 256 1.000 -10.852 -58.051 -35.632 -99.200 -91.000 HIS 268 0.900 -17.491 -58.200 -44.431 -99.200 -91.000 TYR 288 0.840 -27.675 -69.767 -12.781 -99.200 -91.000 TYR 293 0.840 -37.229 -63.708 -5.484 -99.200 -91.000 TRP 299 1.040 -43.070 -78.530 2.320 -99.200 -91.000 TRP6 299 1.020 -43.750 -80.738 1.873 -99.200 -91.000 HIS 300 0.900 -44.127 -78.670 8.553 -99.200 -91.000 HIS 306 0.900 -31.699 -75.620 1.357 -99.200 -91.000 TYR 323 0.840 -16.270 -64.852 -18.808 -99.200 -91.000 PHE 328 1.000 -19.992 -54.256 -20.796 -99.200 -91.000 TYR 338 0.840 -14.169 -45.977 -34.919 -99.200 -91.000 TYR 350 0.840 -32.739 -35.830 -44.427 -99.200 -91.000 TYR 354 0.840 -29.921 -28.523 -34.298 -99.200 -91.000 TYR 373 0.840 -45.867 -31.320 -31.731 -99.200 -91.000 TRP 384 1.040 -38.492 -37.369 -40.510 -99.200 -91.000 TRP6 384 1.020 -36.404 -38.460 -40.400 -99.200 -91.000 PHE 390 1.000 -36.915 -28.326 -38.954 -99.200 -91.000 PHE 413 1.000 -32.344 -25.272 -37.667 -99.200 -91.000 TYR 415 0.840 -22.178 -28.937 -31.994 -99.200 -91.000 HIS 417 0.900 -29.883 -24.670 -25.971 -99.200 -91.000 HIS 418 0.900 -29.357 -29.195 -28.000 -99.200 -91.000 HIS 421 0.900 -27.447 -26.582 -17.483 -99.200 -91.000 PHE 426 1.000 -18.912 -35.972 -17.053 -99.200 -91.000