============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 2 1.040 61.841 -1.005 8.916 -99.200 -91.000 TRP6 2 1.020 61.463 0.055 11.002 -99.200 -91.000 HIS 8 0.900 65.731 10.570 -11.358 -99.200 -91.000 TRP 12 1.040 66.454 14.789 3.052 -99.200 -91.000 TRP6 12 1.020 64.489 13.419 3.081 -99.200 -91.000 PHE 18 1.000 56.471 22.242 -1.023 -99.200 -91.000 PHE 19 1.000 58.599 19.708 5.197 -99.200 -91.000 TRP 35 1.040 59.584 15.120 7.534 -99.200 -91.000 TRP6 35 1.020 58.571 13.005 7.919 -99.200 -91.000 TYR 51 0.840 68.773 9.184 8.789 -99.200 -91.000 PHE 64 1.000 57.850 2.249 11.425 -99.200 -91.000 TRP 69 1.040 59.493 -1.132 5.532 -99.200 -91.000 TRP6 69 1.020 60.039 1.177 5.606 -99.200 -91.000 TYR 79 0.840 54.207 14.654 4.454 -99.200 -91.000 TYR 89 0.840 63.213 15.513 -12.834 -99.200 -91.000 PHE 91 1.000 54.033 17.757 -19.864 -99.200 -91.000 PHE 105 1.000 62.885 26.103 -7.598 -99.200 -91.000 TYR 106 0.840 67.897 17.264 -12.269 -99.200 -91.000 PHE 108 1.000 60.008 19.612 -4.699 -99.200 -91.000 PHE 119 1.000 40.641 17.178 11.359 -99.200 -91.000 PHE 133 1.000 52.438 27.237 3.570 -99.200 -91.000 PHE 147 1.000 43.836 22.326 21.980 -99.200 -91.000 TRP 153 1.040 61.866 5.325 19.512 -99.200 -91.000 TRP6 153 1.020 63.048 5.585 17.472 -99.200 -91.000 PHE 158 1.000 60.413 11.072 16.704 -99.200 -91.000 TYR 159 0.840 57.020 18.435 19.030 -99.200 -91.000 PHE 161 1.000 46.491 19.558 11.949 -99.200 -91.000 TRP 203 1.040 34.430 10.135 -1.632 -99.200 -91.000 TRP6 203 1.020 32.706 11.682 -1.127 -99.200 -91.000 TYR 209 0.840 34.589 22.375 -6.736 -99.200 -91.000 TYR 211 0.840 32.492 15.849 2.262 -99.200 -91.000 PHE 215 1.000 31.630 20.229 5.155 -99.200 -91.000 TRP 221 1.040 42.938 29.280 -2.870 -99.200 -91.000 TRP6 221 1.020 43.028 30.020 -0.626 -99.200 -91.000 PHE 236 1.000 47.796 25.057 -11.948 -99.200 -91.000 TYR 251 0.840 54.401 29.558 -19.163 -99.200 -91.000 PHE 252 1.000 50.505 35.051 -19.636 -99.200 -91.000 PHE 270 1.000 51.603 24.725 -16.067 -99.200 -91.000 PHE 273 1.000 53.899 14.222 -16.157 -99.200 -91.000 PHE 279 1.000 53.243 19.796 -3.948 -99.200 -91.000 TYR 280 0.840 59.491 20.932 -9.977 -99.200 -91.000 PHE 282 1.000 51.736 25.686 -4.084 -99.200 -91.000 TYR 284 0.840 59.827 31.274 -11.110 -99.200 -91.000 PHE 287 1.000 62.796 28.951 -1.663 -99.200 -91.000 PHE 288 1.000 64.159 34.037 -10.426 -99.200 -91.000