============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. PHE 11 1.000 -5.701 11.179 -44.844 -99.200 -91.000 HIS 17 0.900 -9.432 -1.047 -39.265 -99.200 -91.000 PHE 20 1.000 -21.228 -10.584 -41.066 -99.200 -91.000 PHE 28 1.000 -18.317 -9.084 -36.801 -99.200 -91.000 PHE 31 1.000 -11.430 -8.574 -31.328 -99.200 -91.000 HIS 33 0.900 -21.604 -13.622 -29.911 -99.200 -91.000 PHE 41 1.000 -31.464 -8.166 -25.692 -99.200 -91.000 TRP 73 1.040 -20.954 3.020 -42.189 -99.200 -91.000 TRP6 73 1.020 -21.331 0.843 -42.999 -99.200 -91.000 TYR 84 0.840 -30.982 -3.974 -16.487 -99.200 -91.000 TYR 89 0.840 -25.224 -6.273 -27.079 -99.200 -91.000 PHE 95 1.000 -25.167 -2.677 -35.223 -99.200 -91.000 TRP 116 1.040 -9.051 13.493 -15.426 -99.200 -91.000 TRP6 116 1.020 -10.840 14.143 -16.827 -99.200 -91.000 TYR 127 0.840 -16.941 -0.134 -7.255 -99.200 -91.000 TYR 128 0.840 -7.168 -4.692 -8.268 -99.200 -91.000 PHE 139 1.000 -17.499 7.536 -7.953 -99.200 -91.000 TRP 143 1.040 -26.306 -4.289 -6.923 -99.200 -91.000 TRP6 143 1.020 -27.852 -4.459 -5.133 -99.200 -91.000 HIS 152 0.900 -23.505 2.260 -12.738 -99.200 -91.000 PHE 158 1.000 -29.794 3.518 -5.130 -99.200 -91.000 TYR 165 0.840 -19.870 9.523 0.578 -99.200 -91.000 PHE 195 1.000 -19.979 18.369 -15.702 -99.200 -91.000 TRP 196 1.040 -28.735 19.085 -15.281 -99.200 -91.000 TRP6 196 1.020 -30.501 18.588 -16.768 -99.200 -91.000 TRP 206 1.040 -26.587 12.814 -23.384 -99.200 -91.000 TRP6 206 1.020 -28.375 14.354 -23.539 -99.200 -91.000 TYR 210 0.840 -10.326 9.682 -23.400 -99.200 -91.000 TRP 212 1.040 -17.861 8.832 -17.057 -99.200 -91.000 TRP6 212 1.020 -19.615 10.360 -17.435 -99.200 -91.000 PHE 226 1.000 -26.643 -6.835 8.080 -99.200 -91.000 HIS 242 0.900 -46.088 -3.264 6.508 -99.200 -91.000 TRP 244 1.040 -35.677 -3.536 3.674 -99.200 -91.000 TRP6 244 1.020 -36.646 -2.638 1.715 -99.200 -91.000 PHE 246 1.000 -43.314 1.539 7.077 -99.200 -91.000 PHE 255 1.000 -26.119 2.800 10.916 -99.200 -91.000 TRP 269 1.040 -34.813 -17.310 -2.293 -99.200 -91.000 TRP6 269 1.020 -33.599 -15.421 -3.031 -99.200 -91.000 PHE 275 1.000 -20.991 0.197 3.290 -99.200 -91.000 HIS 276 0.900 -22.236 2.031 10.812 -99.200 -91.000 PHE 277 1.000 -20.554 4.973 4.168 -99.200 -91.000 PHE 287 1.000 -28.894 -2.676 10.399 -99.200 -91.000 PHE 291 1.000 -36.097 -5.597 9.865 -99.200 -91.000 TYR 301 0.840 -24.380 -6.991 12.837 -99.200 -91.000 TRP 306 1.040 -15.771 1.361 -0.535 -99.200 -91.000 TRP6 306 1.020 -14.557 1.488 -2.556 -99.200 -91.000 PHE 310 1.000 -19.045 -0.566 -2.804 -99.200 -91.000 TYR 312 0.840 -19.431 -10.566 2.580 -99.200 -91.000 PHE 326 1.000 -13.642 -8.994 -21.536 -99.200 -91.000 PHE 329 1.000 -23.051 -14.238 -10.003 -99.200 -91.000 PHE 334 1.000 -30.270 -9.650 -17.351 -99.200 -91.000 PHE 350 1.000 -43.047 -5.244 0.758 -99.200 -91.000 TYR 351 0.840 -49.979 -13.578 1.964 -99.200 -91.000 PHE 364 1.000 -33.050 -12.210 -9.054 -99.200 -91.000 PHE 370 1.000 -34.066 5.839 -4.645 -99.200 -91.000 PHE 381 1.000 -25.834 18.116 -8.053 -99.200 -91.000 PHE 384 1.000 -32.492 8.772 -10.047 -99.200 -91.000 HIS 386 0.900 -37.591 9.159 -10.613 -99.200 -91.000 TYR 396 0.840 -41.377 -5.419 -9.715 -99.200 -91.000 TRP 400 1.040 -34.439 -17.996 -20.173 -99.200 -91.000 TRP6 400 1.020 -35.303 -15.802 -20.031 -99.200 -91.000 PHE 411 1.000 -38.585 -19.164 -17.226 -99.200 -91.000 TRP 414 1.040 -43.822 -14.934 -12.242 -99.200 -91.000 TRP6 414 1.020 -42.017 -13.580 -11.553 -99.200 -91.000 TYR 419 0.840 -44.054 -2.590 -14.623 -99.200 -91.000 PHE 421 1.000 -49.801 -7.962 -6.533 -99.200 -91.000 PHE 425 1.000 -50.648 -2.939 -4.220 -99.200 -91.000 TYR 434 0.840 -31.386 4.172 -12.517 -99.200 -91.000 HIS 437 0.900 -32.321 -0.681 -13.193 -99.200 -91.000 TRP 447 1.040 -34.391 7.854 -33.466 -99.200 -91.000 TRP6 447 1.020 -35.268 9.972 -32.888 -99.200 -91.000 TRP 463 1.040 -39.096 6.928 -24.408 -99.200 -91.000 TRP6 463 1.020 -40.615 6.205 -26.067 -99.200 -91.000 TYR 467 0.840 -36.608 5.777 -19.063 -99.200 -91.000 PHE 468 1.000 -33.993 11.037 -18.407 -99.200 -91.000 TYR 472 0.840 -39.134 14.706 -22.768 -99.200 -91.000 PHE 488 1.000 -22.740 10.428 -30.942 -99.200 -91.000 HIS 490 0.900 -31.186 4.988 -26.870 -99.200 -91.000