============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 37 1.000 10.756 44.514 1.684 -99.200 -91.000 TYR 54 0.840 8.089 68.478 23.340 -99.200 -91.000 TYR 63 0.840 3.610 78.510 20.413 -99.200 -91.000 TYR 64 0.840 8.823 73.583 23.277 -99.200 -91.000 HIS 69 0.900 21.741 73.928 13.157 -99.200 -91.000 PHE 85 1.000 3.254 64.083 -4.419 -99.200 -91.000 PHE 89 1.000 -1.952 73.559 2.369 -99.200 -91.000 HIS 95 0.900 2.403 62.758 15.646 -99.200 -91.000 HIS 106 0.900 -9.651 70.530 14.676 -99.200 -91.000 HIS 125 0.900 -7.960 53.604 6.199 -99.200 -91.000 HIS 128 0.900 -11.415 56.839 2.819 -99.200 -91.000 PHE 134 1.000 -10.542 60.089 12.454 -99.200 -91.000 TYR 139 0.840 -16.704 64.727 11.293 -99.200 -91.000 PHE 143 1.000 -20.601 54.940 4.599 -99.200 -91.000 TYR 144 0.840 -18.038 57.267 -3.491 -99.200 -91.000 HIS 151 0.900 -17.030 42.922 -10.677 -99.200 -91.000 PHE 165 1.000 -25.228 62.248 3.303 -99.200 -91.000 TRP 174 1.040 -8.509 53.714 -5.076 -99.200 -91.000 TRP6 174 1.020 -6.550 52.356 -5.215 -99.200 -91.000 TYR 177 0.840 -12.083 51.571 -8.485 -99.200 -91.000 PHE 183 1.000 -8.010 61.665 -8.993 -99.200 -91.000 PHE 186 1.000 -15.011 61.000 -7.058 -99.200 -91.000 HIS 203 0.900 -3.372 50.798 -0.810 -99.200 -91.000 PHE 204 1.000 -4.619 57.339 -5.898 -99.200 -91.000 HIS 213 0.900 -3.993 57.223 -10.367 -99.200 -91.000 HIS 219 0.900 -8.511 67.457 -12.136 -99.200 -91.000 HIS 228 0.900 2.783 54.381 6.012 -99.200 -91.000 TYR 244 0.840 -9.883 75.109 0.622 -99.200 -91.000 PHE 253 1.000 1.010 73.396 18.352 -99.200 -91.000 HIS 263 0.900 12.256 60.914 15.647 -99.200 -91.000 PHE 280 1.000 9.481 56.473 -6.379 -99.200 -91.000 HIS 318 0.900 -1.045 50.048 -5.561 -99.200 -91.000 HIS 339 0.900 2.555 31.862 6.657 -99.200 -91.000 PHE 375 1.000 10.951 39.045 -7.093 -99.200 -91.000 PHE 380 1.000 6.710 41.791 -9.953 -99.200 -91.000 PHE 413 1.000 15.981 39.100 -8.350 -99.200 -91.000 TYR 416 0.840 16.256 46.411 4.366 -99.200 -91.000 TRP 422 1.040 24.882 48.828 5.265 -99.200 -91.000 TRP6 422 1.020 22.633 48.572 4.549 -99.200 -91.000