============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 11.660 22.240 13.240 -99.200 -91.000 PHE 34 1.000 17.504 31.011 10.220 -99.200 -91.000 TRP 42 1.040 12.439 39.559 17.914 -99.200 -91.000 TRP6 42 1.020 12.831 38.827 20.149 -99.200 -91.000 PHE 44 1.000 15.458 36.755 25.053 -99.200 -91.000 TYR 57 0.840 24.288 42.390 18.733 -99.200 -91.000 TRP 73 1.040 13.261 46.459 17.684 -99.200 -91.000 TRP6 73 1.020 12.418 44.419 18.519 -99.200 -91.000 TYR 77 0.840 6.659 37.567 16.550 -99.200 -91.000 TYR 88 0.840 23.042 48.830 18.624 -99.200 -91.000 PHE 114 1.000 9.164 36.067 21.891 -99.200 -91.000 PHE 128 1.000 7.721 38.029 -0.114 -99.200 -91.000 PHE 142 1.000 21.270 36.207 6.277 -99.200 -91.000 PHE 143 1.000 15.655 35.175 -0.095 -99.200 -91.000 PHE 155 1.000 13.980 31.539 2.511 -99.200 -91.000 TYR 161 0.840 7.822 12.631 12.929 -99.200 -91.000 HIS 162 0.900 9.018 14.079 16.735 -99.200 -91.000 TYR 167 0.840 15.372 27.275 7.834 -99.200 -91.000 PHE 169 1.000 19.378 31.595 4.029 -99.200 -91.000 PHE 171 1.000 23.224 25.023 -1.510 -99.200 -91.000 TYR 177 0.840 14.569 18.233 -5.110 -99.200 -91.000 TYR 183 0.840 10.005 26.141 -8.315 -99.200 -91.000 PHE 192 1.000 1.490 37.089 6.622 -99.200 -91.000 TRP 193 1.040 8.025 33.769 1.738 -99.200 -91.000 TRP6 193 1.020 9.046 33.718 -0.388 -99.200 -91.000 TRP 195 1.040 1.126 28.185 -0.292 -99.200 -91.000 TRP6 195 1.020 0.550 26.002 -1.011 -99.200 -91.000 TYR 200 0.840 -9.680 18.307 1.986 -99.200 -91.000 PHE 207 1.000 -6.405 17.204 -4.570 -99.200 -91.000 TYR 224 0.840 -2.970 26.538 13.771 -99.200 -91.000 TYR 233 0.840 -6.263 14.016 9.726 -99.200 -91.000 TRP 234 1.040 -8.551 16.291 13.585 -99.200 -91.000 TRP6 234 1.020 -6.853 14.878 14.423 -99.200 -91.000 TYR 249 0.840 -11.190 18.804 15.490 -99.200 -91.000 PHE 251 1.000 -4.240 11.886 18.086 -99.200 -91.000 PHE 260 1.000 -4.859 17.513 4.991 -99.200 -91.000 PHE 262 1.000 0.891 20.431 1.498 -99.200 -91.000 TYR 275 0.840 6.323 13.703 9.167 -99.200 -91.000 PHE 278 1.000 2.710 19.841 19.050 -99.200 -91.000 PHE 289 1.000 -3.718 20.576 20.403 -99.200 -91.000 PHE 303 1.000 -1.002 25.012 3.294 -99.200 -91.000 PHE 312 1.000 14.745 21.108 -1.096 -99.200 -91.000 PHE 315 1.000 9.954 29.297 2.129 -99.200 -91.000 PHE 325 1.000 4.880 23.830 -0.735 -99.200 -91.000