============================================================================= 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 26.613 -2.500 40.895 -99.200 -91.000 TRP6 2 1.020 26.848 -1.296 38.859 -99.200 -91.000 HIS 8 0.900 22.496 8.326 61.736 -99.200 -91.000 TRP 12 1.040 21.838 13.118 47.375 -99.200 -91.000 TRP6 12 1.020 23.741 11.703 47.317 -99.200 -91.000 PHE 18 1.000 31.813 20.447 51.822 -99.200 -91.000 PHE 19 1.000 29.690 18.026 45.417 -99.200 -91.000 TRP 35 1.040 28.748 13.490 42.946 -99.200 -91.000 TRP6 35 1.020 29.759 11.408 42.452 -99.200 -91.000 TYR 51 0.840 19.621 7.561 41.484 -99.200 -91.000 PHE 64 1.000 30.539 0.939 38.514 -99.200 -91.000 TRP 69 1.040 28.909 -2.751 44.360 -99.200 -91.000 TRP6 69 1.020 28.393 -0.429 44.370 -99.200 -91.000 TYR 79 0.840 34.124 13.004 46.008 -99.200 -91.000 TYR 89 0.840 25.226 13.096 63.367 -99.200 -91.000 PHE 91 1.000 34.300 15.022 70.365 -99.200 -91.000 PHE 105 1.000 25.440 24.048 58.427 -99.200 -91.000 TYR 106 0.840 20.313 15.032 62.736 -99.200 -91.000 PHE 108 1.000 28.371 17.600 55.472 -99.200 -91.000 PHE 119 1.000 47.697 15.886 39.088 -99.200 -91.000 PHE 133 1.000 35.738 25.495 47.269 -99.200 -91.000 PHE 147 1.000 44.439 21.569 28.952 -99.200 -91.000 TRP 153 1.040 26.494 4.312 30.619 -99.200 -91.000 TRP6 153 1.020 25.333 4.465 32.680 -99.200 -91.000 PHE 158 1.000 27.868 9.947 33.669 -99.200 -91.000 TYR 159 0.840 31.238 17.327 31.606 -99.200 -91.000 PHE 161 1.000 41.785 18.181 38.624 -99.200 -91.000 TRP 203 1.040 53.870 8.235 51.784 -99.200 -91.000 TRP6 203 1.020 55.653 9.753 51.457 -99.200 -91.000 TYR 209 0.840 53.665 20.408 57.469 -99.200 -91.000 TYR 211 0.840 55.798 14.166 48.139 -99.200 -91.000 PHE 215 1.000 56.596 18.550 45.495 -99.200 -91.000 TRP 221 1.040 45.285 27.403 54.023 -99.200 -91.000 TRP6 221 1.020 45.030 28.204 51.808 -99.200 -91.000 PHE 236 1.000 40.515 22.714 62.873 -99.200 -91.000 TYR 251 0.840 33.982 26.557 70.383 -99.200 -91.000 PHE 252 1.000 38.140 32.146 71.195 -99.200 -91.000 PHE 270 1.000 36.885 22.172 66.921 -99.200 -91.000 PHE 273 1.000 34.499 11.696 66.465 -99.200 -91.000 PHE 279 1.000 35.062 17.868 54.606 -99.200 -91.000 TYR 280 0.840 28.856 18.645 60.719 -99.200 -91.000 PHE 282 1.000 36.576 23.790 54.987 -99.200 -91.000 TYR 284 0.840 28.707 28.956 62.371 -99.200 -91.000 PHE 287 1.000 25.702 26.986 52.510 -99.200 -91.000 PHE 288 1.000 23.904 31.795 61.660 -99.200 -91.000