============================================================================= 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 2 1.000 31.112 9.562 58.720 -99.200 -91.000 TRP 8 1.040 17.031 17.089 45.877 -99.200 -91.000 TRP6 8 1.020 18.329 17.278 43.883 -99.200 -91.000 TYR 15 0.840 28.744 15.693 53.428 -99.200 -91.000 PHE 51 1.000 19.799 3.741 79.136 -99.200 -91.000 TYR 55 0.840 21.372 8.782 83.636 -99.200 -91.000 TYR 56 0.840 26.131 8.021 85.287 -99.200 -91.000 HIS 67 0.900 30.103 6.637 82.871 -99.200 -91.000 TYR 84 0.840 20.589 -3.372 83.029 -99.200 -91.000 HIS 85 0.900 15.682 -5.612 88.041 -99.200 -91.000 PHE 93 1.000 19.440 9.432 78.207 -99.200 -91.000 TRP 99 1.040 8.533 11.308 70.735 -99.200 -91.000 TRP6 99 1.020 7.617 12.953 72.178 -99.200 -91.000 TRP 111 1.040 14.148 15.502 71.510 -99.200 -91.000 TRP6 111 1.020 15.567 14.831 73.295 -99.200 -91.000 PHE 117 1.000 2.062 9.753 84.643 -99.200 -91.000 PHE 129 1.000 -9.710 0.140 84.274 -99.200 -91.000 TYR 131 0.840 0.724 2.035 88.062 -99.200 -91.000 HIS 135 0.900 -0.437 7.411 79.563 -99.200 -91.000 TYR 138 0.840 0.338 14.438 83.225 -99.200 -91.000 PHE 152 1.000 1.287 -0.691 82.919 -99.200 -91.000 PHE 162 1.000 3.278 -7.312 84.527 -99.200 -91.000 TRP 165 1.040 -4.009 -9.605 75.140 -99.200 -91.000 TRP6 165 1.020 -5.121 -11.570 74.422 -99.200 -91.000 TYR 172 0.840 -14.483 5.926 68.082 -99.200 -91.000 TYR 175 0.840 -20.075 -3.341 67.375 -99.200 -91.000 HIS 198 0.900 -10.809 -13.068 76.305 -99.200 -91.000 TRP 200 1.040 -17.789 -4.654 75.810 -99.200 -91.000 TRP6 200 1.020 -17.804 -4.003 73.538 -99.200 -91.000 PHE 207 1.000 -17.864 7.338 64.556 -99.200 -91.000 PHE 224 1.000 -9.514 -4.698 84.384 -99.200 -91.000 HIS 238 0.900 -16.636 22.357 56.012 -99.200 -91.000 TRP 243 1.040 -23.923 19.644 53.525 -99.200 -91.000 TRP6 243 1.020 -22.008 18.252 53.423 -99.200 -91.000 PHE 244 1.000 -17.994 16.801 57.663 -99.200 -91.000 TRP 251 1.040 -10.272 9.564 65.836 -99.200 -91.000 TRP6 251 1.020 -11.065 7.714 64.594 -99.200 -91.000 TYR 252 0.840 -9.519 7.588 69.349 -99.200 -91.000 PHE 269 1.000 11.455 -1.395 80.645 -99.200 -91.000 PHE 274 1.000 4.118 5.351 71.831 -99.200 -91.000 TRP 277 1.040 -0.022 17.600 69.842 -99.200 -91.000 TRP6 277 1.020 1.432 18.179 71.635 -99.200 -91.000 TYR 278 0.840 -5.437 11.171 66.702 -99.200 -91.000 HIS 292 0.900 -7.061 0.184 54.338 -99.200 -91.000 TYR 294 0.840 -15.027 4.698 61.344 -99.200 -91.000 TRP 315 1.040 -15.072 11.454 42.599 -99.200 -91.000 TRP6 315 1.020 -15.296 10.040 44.495 -99.200 -91.000 HIS 329 0.900 -15.250 24.725 62.716 -99.200 -91.000 PHE 331 1.000 -9.678 16.542 67.383 -99.200 -91.000 HIS 341 0.900 -1.951 18.763 55.957 -99.200 -91.000 HIS 342 0.900 -0.195 22.653 54.669 -99.200 -91.000 PHE 348 1.000 10.950 15.173 61.084 -99.200 -91.000 HIS 351 0.900 13.671 16.408 66.079 -99.200 -91.000 TRP 366 1.040 10.783 11.594 51.562 -99.200 -91.000 TRP6 366 1.020