============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 4 1.000 -34.243 61.367 16.908 -99.200 -91.000 TRP 6 1.040 -34.114 62.660 28.608 -99.200 -91.000 TRP6 6 1.020 -31.878 62.095 29.082 -99.200 -91.000 TYR 19 0.840 -37.686 45.851 17.056 -99.200 -91.000 HIS 28 0.900 -26.565 42.951 5.331 -99.200 -91.000 PHE 34 1.000 -17.789 33.296 3.395 -99.200 -91.000 PHE 35 1.000 -19.613 29.823 -1.027 -99.200 -91.000 TRP 56 1.040 -21.485 20.653 -10.004 -99.200 -91.000 TRP6 56 1.020 -20.248 18.760 -9.352 -99.200 -91.000 TYR 64 0.840 -15.136 42.671 -4.582 -99.200 -91.000 TYR 69 0.840 -7.559 40.407 -15.134 -99.200 -91.000 HIS 91 0.900 -15.415 21.679 -8.221 -99.200 -91.000 PHE 95 1.000 -19.244 14.635 1.565 -99.200 -91.000 PHE 101 1.000 -12.625 10.426 2.063 -99.200 -91.000 TRP 102 1.040 -16.060 17.687 3.905 -99.200 -91.000 TRP6 102 1.020 -14.326 19.272 4.019 -99.200 -91.000 TYR 104 0.840 -11.208 22.701 -0.539 -99.200 -91.000 HIS 105 0.900 -10.626 14.947 -5.374 -99.200 -91.000 TRP 111 1.040 -9.087 24.457 -14.308 -99.200 -91.000 TRP6 111 1.020 -10.790 24.248 -12.673 -99.200 -91.000 HIS 122 0.900 -16.082 13.271 -7.986 -99.200 -91.000 TYR 129 0.840 -16.885 27.409 0.098 -99.200 -91.000 PHE 140 1.000 -19.363 39.580 12.006 -99.200 -91.000 TRP 142 1.040 -14.595 38.878 21.949 -99.200 -91.000 TRP6 142 1.020 -13.389 40.311 20.490 -99.200 -91.000 PHE 156 1.000 -29.808 42.243 8.606 -99.200 -91.000 PHE 164 1.000 -27.761 54.506 27.316 -99.200 -91.000 PHE 169 1.000 -22.942 54.490 31.502 -99.200 -91.000 TYR 173 0.840 -14.131 58.410 20.041 -99.200 -91.000 PHE 192 1.000 -28.116 57.498 31.887 -99.200 -91.000 TYR 197 0.840 -33.702 60.353 32.558 -99.200 -91.000 HIS 202 0.900 -39.546 65.627 21.760 -99.200 -91.000 PHE 215 1.000 -21.894 60.231 10.736 -99.200 -91.000 PHE 220 1.000 -26.579 58.096 -1.044 -99.200 -91.000 TRP 231 1.040 -29.425 64.325 21.358 -99.200 -91.000 TRP6 231 1.020 -27.312 64.405 22.414 -99.200 -91.000 TYR 256 0.840 -12.487 34.921 5.339 -99.200 -91.000 TYR 275 0.840 -24.223 53.746 -3.094 -99.200 -91.000 PHE 292 1.000 -29.090 53.836 0.383 -99.200 -91.000 PHE 298 1.000 -31.024 51.191 -3.411 -99.200 -91.000 PHE 303 1.000 -37.651 48.996 0.041 -99.200 -91.000 TRP 304 1.040 -35.572 39.455 3.694 -99.200 -91.000 TRP6 304 1.020 -36.959 39.193 5.600 -99.200 -91.000 HIS 322 0.900 -40.371 52.123 -16.370 -99.200 -91.000 HIS 328 0.900 -46.979 56.022 -8.008 -99.200 -91.000 TRP 333 1.040 -51.986 55.512 -1.064 -99.200 -91.000 TRP6 333 1.020 -50.770 54.207 -2.621 -99.200 -91.000 PHE 343 1.000 -55.266 52.070 -4.427 -99.200 -91.000 TYR 353 0.840 -57.977 39.557 -3.192 -99.200 -91.000 PHE 373 1.000 -46.854 56.370 5.771 -99.200 -91.000 TYR 380 0.840 -41.373 46.828 8.089 -99.200 -91.000 TRP 413 1.040 -26.246 9.701 -6.319 -99.200 -91.000 TRP6 413 1.020 -24.254 10.954 -6.285 -99.200 -91.000 PHE 417 1.000 -27.875 13.049 -1.041 -99.200 -91.000 TYR 432 0.840