============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 3 0.900 -11.651 31.823 -3.458 -99.200 -91.000 PHE 8 1.000 -22.970 46.207 -8.833 -99.200 -91.000 PHE 14 1.000 -26.835 48.608 -20.971 -99.200 -91.000 PHE 15 1.000 -27.782 48.167 -12.025 -99.200 -91.000 HIS 18 0.900 -32.678 54.942 -9.248 -99.200 -91.000 HIS 31 0.900 -30.141 36.319 5.020 -99.200 -91.000 HIS 35 0.900 -29.760 31.662 5.608 -99.200 -91.000 PHE 44 1.000 -38.283 19.265 -2.175 -99.200 -91.000 TRP 47 1.040 -30.323 24.436 -1.664 -99.200 -91.000 TRP6 47 1.020 -29.632 26.710 -1.582 -99.200 -91.000 TYR 54 0.840 -18.945 17.628 4.547 -99.200 -91.000 PHE 59 1.000 -15.648 14.688 1.868 -99.200 -91.000 TYR 85 0.840 -24.760 14.518 -18.207 -99.200 -91.000 PHE 98 1.000 -6.582 18.070 -26.329 -99.200 -91.000 TYR 104 0.840 -5.889 10.565 -9.855 -99.200 -91.000 PHE 109 1.000 -20.051 12.145 -16.882 -99.200 -91.000 HIS 113 0.900 -27.354 9.363 -24.407 -99.200 -91.000 TYR 118 0.840 -22.720 8.465 -25.439 -99.200 -91.000 TYR 125 0.840 -13.471 4.136 -24.651 -99.200 -91.000 PHE 131 1.000 -17.635 -2.126 -17.160 -99.200 -91.000 PHE 149 1.000 -28.077 -0.511 -12.012 -99.200 -91.000 PHE 152 1.000 -23.393 0.536 -19.625 -99.200 -91.000 TYR 160 0.840 -15.382 -6.784 -14.038 -99.200 -91.000 PHE 170 1.000 -18.392 1.739 -5.961 -99.200 -91.000 TYR 189 0.840 -25.327 -3.613 -6.769 -99.200 -91.000 PHE 192 1.000 -20.944 6.102 -1.584 -99.200 -91.000 TYR 202 0.840 -31.141 24.634 -5.839 -99.200 -91.000 TYR 243 0.840 -28.779 37.283 -0.285 -99.200 -91.000 TYR 245 0.840 -25.927 36.267 -11.239 -99.200 -91.000 TYR 253 0.840 -38.378 38.502 -16.342 -99.200 -91.000 TYR 257 0.840 -31.810 44.855 -21.150 -99.200 -91.000 TYR 264 0.840 -13.932 35.860 -22.788 -99.200 -91.000 TYR 269 0.840 -21.048 18.788 -20.919 -99.200 -91.000 PHE 270 1.000 -19.930 27.121 -13.672 -99.200 -91.000 TRP 273 1.040 -24.336 22.769 -11.705 -99.200 -91.000 TRP6 273 1.020 -24.055 24.915 -10.671 -99.200 -91.000 TRP 274 1.040 -25.859 30.285 -14.557 -99.200 -91.000 TRP6 274 1.020 -27.062 31.043 -16.441 -99.200 -91.000 PHE 278 1.000 -29.331 31.294 -11.709 -99.200 -91.000 PHE 286 1.000 -47.609 28.778 -18.860 -99.200 -91.000 TYR 290 0.840 -33.866 30.068 -23.537 -99.200 -91.000 TYR 296 0.840 -18.555 35.396 -25.922 -99.200 -91.000 HIS 301 0.900 -14.128 34.292 -34.162 -99.200 -91.000 TYR 306 0.840 -29.583 37.656 -32.122 -99.200 -91.000 PHE 313 1.000 -34.530 38.933 -27.679 -99.200 -91.000 PHE 315 1.000 -29.279 39.350 -17.730 -99.200 -91.000 HIS 323 0.900 -2.450 31.097 -12.099 -99.200 -91.000 TYR 326 0.840 -0.808 23.231 -17.883 -99.200 -91.000 TYR 342 0.840 -0.895 43.493 -32.783 -99.200 -91.000 PHE 356 1.000 -13.232 39.989 -19.139 -99.200 -91.000 HIS 363 0.900 -20.488 41.276 -26.813 -99.200 -91.000 PHE 382 1.000 -17.395 22.764 -9.571 -99.200 -91.000 TYR 384 0.840 -16.812 32.024 -2.544 -99.200 -91.000 TYR 387 0.840 -23.754 28.087 -0.128 -99.200 -91.000 PHE 388 1.000 -22.057 34.430 -7.082 -99.200 -91.000 PHE 389 1.000 -23.057 31.542 -10.998 -99.200 -91.000 TYR 397 0.840 -38.033 31.555 -1.933 -99.200 -91.000 PHE 404 1.000 -35.394 26.402 -3.255 -99.200 -91.000 TYR 412 0.840 -39.973 14.562 -20.581 -99.200 -91.000 PHE 416 1.000 -43.517 7.547 -17.459 -99.200 -91.000 PHE 424 1.000 -49.339 6.666 -17.198 -99.200 -91.000