============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 12 0.840 66.808 3.614 38.074 -99.200 -91.000 TYR 18 0.840 75.452 14.109 36.072 -99.200 -91.000 PHE 48 1.000 55.937 10.528 39.868 -99.200 -91.000 TRP 51 1.040 47.621 15.908 41.883 -99.200 -91.000 TRP6 51 1.020 49.218 17.274 42.926 -99.200 -91.000 PHE 60 1.000 57.640 16.664 31.022 -99.200 -91.000 TYR 62 0.840 59.619 17.636 24.848 -99.200 -91.000 TYR 75 0.840 56.940 12.887 34.947 -99.200 -91.000 TRP 80 1.040 63.284 1.462 35.450 -99.200 -91.000 TRP6 80 1.020 62.280 0.025 33.857 -99.200 -91.000 TYR 82 0.840 55.500 6.158 42.706 -99.200 -91.000 TYR 83 0.840 54.205 3.936 38.753 -99.200 -91.000 PHE 86 1.000 57.209 2.698 32.569 -99.200 -91.000 PHE 95 1.000 55.071 22.772 20.569 -99.200 -91.000 HIS 98 0.900 53.085 29.969 20.817 -99.200 -91.000 PHE 102 1.000 64.108 30.092 16.013 -99.200 -91.000 PHE 108 1.000 65.092 18.104 20.222 -99.200 -91.000 TYR 116 0.840 63.076 11.454 24.734 -99.200 -91.000 TYR 121 0.840 45.951 19.543 22.900 -99.200 -91.000 PHE 135 1.000 49.155 24.530 28.923 -99.200 -91.000 PHE 138 1.000 46.373 19.169 27.903 -99.200 -91.000 PHE 142 1.000 43.842 14.893 26.402 -99.200 -91.000 HIS 154 0.900 63.181 29.212 42.331 -99.200 -91.000 PHE 158 1.000 56.754 38.767 36.351 -99.200 -91.000 HIS 161 0.900 59.189 36.451 44.849 -99.200 -91.000 TRP 172 1.040 48.022 30.812 33.165 -99.200 -91.000 TRP6 172 1.020 48.964 29.139 31.794 -99.200 -91.000 PHE 175 1.000 47.311 23.869 34.746 -99.200 -91.000 TYR 176 0.840 47.641 21.954 43.628 -99.200 -91.000 HIS 183 0.900 66.095 21.854 42.268 -99.200 -91.000 TRP 184 1.040 67.785 20.766 38.033 -99.200 -91.000 TRP6 184 1.020 69.211 19.338 36.800 -99.200 -91.000 TRP 190 1.040 74.585 24.850 28.876 -99.200 -91.000 TRP6 190 1.020 73.126 24.587 27.008 -99.200 -91.000 PHE 192 1.000 70.642 14.320 33.657 -99.200 -91.000 TYR 195 0.840 76.746 10.840 32.091 -99.200 -91.000 TYR 204 0.840 68.990 24.844 23.321 -99.200 -91.000 TYR 206 0.840 74.218 25.326 13.476 -99.200 -91.000 PHE 208 1.000 69.298 30.584 17.823 -99.200 -91.000 HIS 222 0.900 76.822 38.755 26.699 -99.200 -91.000 PHE 236 1.000 79.026 22.348 31.027 -99.200 -91.000 TRP 238 1.040 84.960 12.902 33.301 -99.200 -91.000 TRP6 238 1.020 82.889 11.843 33.698 -99.200 -91.000 TYR 244 0.840 73.800 5.295 29.935 -99.200 -91.000 HIS 246 0.900 72.264 6.461 23.862 -99.200 -91.000 HIS 269 0.900 77.522 38.622 6.223 -99.200 -91.000 TYR 272 0.840 76.690 34.125 17.113 -99.200 -91.000 TYR 273 0.840 83.600 30.305 21.681 -99.200 -91.000 TRP 276 1.040 78.061 22.608 24.284 -99.200 -91.000 TRP6 276 1.020 76.306 22.161 22.746 -99.200 -91.000 TYR 277 0.840 82.614 26.301 24.212 -99.200 -91.000