============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 4 0.840 14.164 42.836 17.188 -99.200 -91.000 PHE 15 1.000 14.957 57.255 1.507 -99.200 -91.000 TRP 19 1.040 13.559 54.638 -6.917 -99.200 -91.000 TRP6 19 1.020 15.805 55.377 -7.043 -99.200 -91.000 HIS 24 0.900 16.926 59.408 -16.653 -99.200 -91.000 PHE 30 1.000 36.843 54.516 -14.372 -99.200 -91.000 PHE 36 1.000 43.838 55.792 -8.771 -99.200 -91.000 TYR 39 0.840 46.176 58.917 -5.189 -99.200 -91.000 TYR 47 0.840 42.472 66.063 0.065 -99.200 -91.000 TRP 50 1.040 47.089 66.438 10.855 -99.200 -91.000 TRP6 50 1.020 49.037 65.104 11.001 -99.200 -91.000 PHE 53 1.000 50.040 62.308 15.034 -99.200 -91.000 PHE 54 1.000 47.531 66.532 17.240 -99.200 -91.000 TRP 57 1.040 51.606 60.382 18.830 -99.200 -91.000 TRP6 57 1.020 53.396 59.130 19.742 -99.200 -91.000 TYR 63 0.840 49.457 54.266 31.683 -99.200 -91.000 PHE 68 1.000 56.980 57.292 24.130 -99.200 -91.000 PHE 72 1.000 55.727 62.148 24.799 -99.200 -91.000 TYR 82 0.840 51.027 68.963 13.087 -99.200 -91.000 HIS 86 0.900 53.433 68.055 9.248 -99.200 -91.000 PHE 106 1.000 33.344 55.040 -10.642 -99.200 -91.000 TRP 107 1.040 31.751 46.914 -12.568 -99.200 -91.000 TRP6 107 1.020 33.033 47.390 -10.643 -99.200 -91.000 HIS 117 0.900 20.673 41.174 -8.437 -99.200 -91.000 TYR 119 0.840 22.076 44.044 -13.910 -99.200 -91.000 PHE 134 1.000 29.181 44.642 -4.080 -99.200 -91.000 TYR 135 0.840 23.520 38.645 -2.098 -99.200 -91.000 TYR 148 0.840 10.798 49.873 10.185 -99.200 -91.000 TYR 149 0.840 16.842 55.530 5.903 -99.200 -91.000 PHE 154 1.000 20.495 55.049 0.978 -99.200 -91.000 HIS 159 0.900 11.738 44.563 -13.341 -99.200 -91.000 TYR 165 0.840 25.347 54.124 -14.520 -99.200 -91.000 PHE 169 1.000 37.077 53.584 -0.769 -99.200 -91.000 PHE 174 1.000 50.568 47.786 -0.269 -99.200 -91.000 TYR 183 0.840 61.052 53.995 12.563 -99.200 -91.000 TYR 190 0.840 58.225 59.956 19.687 -99.200 -91.000 PHE 206 1.000 45.010 56.262 -2.279 -99.200 -91.000 HIS 211 0.900 33.128 59.690 -1.061 -99.200 -91.000 TRP 219 1.040 29.020 58.336 -10.419 -99.200 -91.000 TRP6 219 1.020 28.537 56.716 -8.762 -99.200 -91.000 TYR 221 0.840 28.175 61.798 -6.804 -99.200 -91.000 TYR 237 0.840 31.527 63.630 1.475 -99.200 -91.000 TYR 246 0.840 33.569 50.579 9.085 -99.200 -91.000 HIS 252 0.900 33.705 42.840 9.018 -99.200 -91.000 TRP 259 1.040 40.214 42.264 -1.788 -99.200 -91.000 TRP6 259 1.020 39.269 44.027 -0.517 -99.200 -91.000 TYR 288 0.840 33.871 55.528 -4.115 -99.200 -91.000 PHE 289 1.000 25.275 52.450 -1.898 -99.200 -91.000 TYR 296 0.840 28.385 56.916 5.569 -99.200 -91.000 PHE 297 1.000 21.110 52.104 6.567 -99.200 -91.000 TYR 310 0.840 22.538 38.713 4.233 -99.200 -91.000 TRP 324 1.040 30.806 35.242 8.156 -99.200 -91.000 TRP6 324 1.020 32.992 36.081 8.506 -99.200 -91.000 TYR 331 0.840 17.891 35.104 15.744 -99.200 -91.000