============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 12 0.900 50.323 -7.115 22.682 -99.200 -91.000 PHE 14 1.000 47.555 -14.916 16.887 -99.200 -91.000 PHE 16 1.000 49.252 -10.508 24.902 -99.200 -91.000 PHE 47 1.000 69.583 -16.298 21.706 -99.200 -91.000 TYR 64 0.840 52.285 -12.257 28.453 -99.200 -91.000 TYR 66 0.840 46.906 -19.301 18.877 -99.200 -91.000 PHE 80 1.000 61.363 -27.863 19.508 -99.200 -91.000 PHE 82 1.000 61.259 -22.761 23.693 -99.200 -91.000 TYR 85 0.840 66.511 -13.750 16.933 -99.200 -91.000 TYR 92 0.840 54.064 -9.835 11.272 -99.200 -91.000 TRP 100 1.040 62.498 -12.146 0.273 -99.200 -91.000 TRP6 100 1.020 60.160 -11.905 0.513 -99.200 -91.000 HIS 113 0.900 68.149 -24.036 14.802 -99.200 -91.000 PHE 119 1.000 56.766 -15.488 8.828 -99.200 -91.000 PHE 131 1.000 55.681 -19.192 5.421 -99.200 -91.000 PHE 135 1.000 50.095 -20.724 14.068 -99.200 -91.000 PHE 136 1.000 43.771 -17.549 14.237 -99.200 -91.000 HIS 155 0.900 36.807 -5.686 -4.782 -99.200 -91.000 HIS 160 0.900 40.059 0.156 -5.086 -99.200 -91.000 HIS 161 0.900 39.665 5.762 -8.233 -99.200 -91.000 PHE 166 1.000 38.735 7.757 3.461 -99.200 -91.000 PHE 168 1.000 43.444 3.899 1.430 -99.200 -91.000 TRP 172 1.040 55.635 1.696 6.818 -99.200 -91.000 TRP6 172 1.020 56.851 2.924 8.450 -99.200 -91.000 TYR 179 0.840 45.021 -8.787 -1.328 -99.200 -91.000 PHE 184 1.000 42.758 -4.260 -5.181 -99.200 -91.000 HIS 188 0.900 52.186 -0.386 -1.811 -99.200 -91.000 HIS 190 0.900 45.519 6.825 -3.990 -99.200 -91.000 HIS 194 0.900 48.307 9.222 4.144 -99.200 -91.000 HIS 201 0.900 54.385 2.502 16.174 -99.200 -91.000 PHE 216 1.000 46.317 -0.322 11.084 -99.200 -91.000 TYR 225 0.840 44.367 -8.525 22.144 -99.200 -91.000 PHE 242 1.000 40.576 -6.879 2.408 -99.200 -91.000 TYR 247 0.840 48.162 -15.252 11.637 -99.200 -91.000 PHE 264 1.000 54.209 -34.172 17.155 -99.200 -91.000 TYR 268 0.840 50.160 -29.804 18.821 -99.200 -91.000 PHE 273 1.000 47.822 -27.034 22.510 -99.200 -91.000 HIS 278 0.900 39.495 -18.096 19.039 -99.200 -91.000 TRP 281 1.040 47.006 -17.523 24.757 -99.200 -91.000 TRP6 281 1.020 48.038 -16.182 26.422 -99.200 -91.000 TYR 282 0.840 41.958 -13.586 19.185 -99.200 -91.000