============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 5 1.000 -23.404 -22.237 14.000 -99.200 -91.000 TRP 16 1.040 -10.783 -20.124 26.297 -99.200 -91.000 TRP6 16 1.020 -11.272 -21.903 24.811 -99.200 -91.000 TRP 17 1.040 -18.169 -16.749 25.592 -99.200 -91.000 TRP6 17 1.020 -19.952 -15.247 25.263 -99.200 -91.000 PHE 21 1.000 -19.494 -14.960 32.406 -99.200 -91.000 HIS 23 0.900 -8.276 -13.042 34.004 -99.200 -91.000 PHE 25 1.000 -8.263 -6.180 33.618 -99.200 -91.000 PHE 39 1.000 -9.945 0.058 33.652 -99.200 -91.000 TYR 41 0.840 -0.521 -3.913 29.386 -99.200 -91.000 TYR 42 0.840 -9.375 -3.295 29.422 -99.200 -91.000 TYR 48 0.840 -2.950 -2.471 18.294 -99.200 -91.000 TYR 49 0.840 -10.705 -5.311 20.436 -99.200 -91.000 HIS 52 0.900 -5.353 -2.108 14.249 -99.200 -91.000 PHE 53 1.000 -15.279 -4.452 17.315 -99.200 -91.000 PHE 59 1.000 -10.722 -4.551 5.512 -99.200 -91.000 TYR 63 0.840 -14.778 -8.584 1.639 -99.200 -91.000 TYR 68 0.840 -30.887 -2.629 7.550 -99.200 -91.000 HIS 76 0.900 -23.576 -2.009 15.151 -99.200 -91.000 TYR 81 0.840 -14.450 9.470 16.056 -99.200 -91.000 HIS 88 0.900 -9.405 10.100 24.220 -99.200 -91.000 PHE 91 1.000 -12.709 4.490 30.534 -99.200 -91.000 PHE 105 1.000 -0.449 0.882 22.482 -99.200 -91.000 TYR 112 0.840 0.698 -8.137 15.233 -99.200 -91.000 PHE 114 1.000 -9.668 -10.306 20.323 -99.200 -91.000 HIS 117 0.900 -9.895 -14.708 15.140 -99.200 -91.000 TYR 119 0.840 -7.012 -5.650 10.619 -99.200 -91.000 PHE 127 1.000 -21.851 -9.010 7.677 -99.200 -91.000 TYR 138 0.840 -20.740 -5.765 18.297 -99.200 -91.000 TRP 139 1.040 -24.029 -13.022 23.725 -99.200 -91.000 TRP6 139 1.020 -24.347 -15.060 22.550 -99.200 -91.000 TYR 141 0.840 -15.130 -6.343 26.667 -99.200 -91.000 TYR 142 0.840 -25.947 -7.599 28.204 -99.200 -91.000 HIS 150 0.900 -23.532 -8.512 41.927 -99.200 -91.000 HIS 155 0.900 -10.908 2.979 43.089 -99.200 -91.000 TYR 158 0.840 -11.283 -0.249 38.509 -99.200 -91.000 TRP 161 1.040 -14.504 -1.875 31.455 -99.200 -91.000 TRP6 161 1.020 -15.382 -4.045 31.800 -99.200 -91.000 TYR 165 0.840 -17.590 -2.232 27.707 -99.200 -91.000 TRP 169 1.040 -25.994 2.567 22.656 -99.200 -91.000 TRP6 169 1.020 -23.706 2.035 22.369 -99.200 -91.000 PHE 170 1.000 -21.275 -3.494 24.618 -99.200 -91.000 PHE 181 1.000 -22.997 -16.394 14.872 -99.200 -91.000 PHE 200 1.000 -19.431 -17.089 19.697 -99.200 -91.000 TYR 205 0.840 -6.704 -18.811 23.269 -99.200 -91.000 TYR 206 0.840 -6.365 -14.806 19.605 -99.200 -91.000 TYR 208 0.840 -9.250 -17.083 30.265 -99.200 -91.000 PHE 210 1.000 -7.374 -6.797 25.130 -99.200 -91.000 TRP 211 1.040 -11.270 -11.021 30.272 -99.200 -91.000 TRP6 211 1.020 -12.231 -8.866 30.064 -99.200 -91.000 TYR 215 0.840 -4.429 -10.051 37.828 -99.200 -91.000 TRP 220 1.040 5.465 -7.269 21.770 -99.200 -91.000 TRP6 220 1.020 4.725 -8.610 19.964 -99.200 -91.000