============================================================================= 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. PHE 11 1.000 62.356 -6.487 59.313 -99.200 -91.000 PHE 25 1.000 63.092 -16.779 50.647 -99.200 -91.000 TYR 28 0.840 63.298 -16.357 45.073 -99.200 -91.000 TRP 46 1.040 67.134 -1.388 50.616 -99.200 -91.000 TRP6 46 1.020 67.626 -3.451 51.673 -99.200 -91.000 PHE 51 1.000 61.817 15.406 50.650 -99.200 -91.000 TRP 69 1.040 79.923 6.311 45.690 -99.200 -91.000 TRP6 69 1.020 80.073 7.757 43.794 -99.200 -91.000 HIS 75 0.900 62.744 8.664 35.376 -99.200 -91.000 TYR 79 0.840 61.077 13.698 30.176 -99.200 -91.000 TRP 81 1.040 57.724 16.334 31.619 -99.200 -91.000 TRP6 81 1.020 57.385 14.815 33.373 -99.200 -91.000 PHE 85 1.000 65.142 19.210 39.831 -99.200 -91.000 HIS 97 0.900 60.157 1.558 56.707 -99.200 -91.000 TYR 102 0.840 64.790 16.882 60.944 -99.200 -91.000 TYR 116 0.840 80.118 11.144 39.122 -99.200 -91.000 HIS 118 0.900 75.416 4.916 30.559 -99.200 -91.000 TYR 121 0.840 68.276 9.890 30.756 -99.200 -91.000 TRP 123 1.040 67.189 13.302 27.147 -99.200 -91.000 TRP6 123 1.020 66.141 14.876 25.649 -99.200 -91.000 TYR 145 0.840 65.464 2.710 62.740 -99.200 -91.000 HIS 147 0.900 73.449 -2.746 56.737 -99.200 -91.000 HIS 161 0.900 66.021 -17.698 36.495 -99.200 -91.000 PHE 164 1.000 62.985 -17.619 40.014 -99.200 -91.000 TRP 171 1.040 57.043 7.557 51.146 -99.200 -91.000 TRP6 171 1.020 59.155 6.781 51.846 -99.200 -91.000 TRP 178 1.040 47.792 19.656 33.129 -99.200 -91.000 TRP6 178 1.020 49.581 19.412 31.610 -99.200 -91.000 PHE 215 1.000 64.039 -5.886 35.709 -99.200 -91.000 TYR 219 0.840 50.900 -9.742 40.585 -99.200 -91.000 PHE 238 1.000 61.689 -6.030 40.745 -99.200 -91.000 TYR 244 0.840 75.541 -19.031 47.460 -99.200 -91.000 TRP 248 1.040 66.316 -8.378 51.732 -99.200 -91.000 TRP6 248 1.020 64.267 -8.606 50.543 -99.200 -91.000 TYR 249 0.840 72.749 -10.021 46.085 -99.200 -91.000 TRP 256 1.040 60.245 3.092 30.546 -99.200 -91.000 TRP6 256 1.020 58.817 2.118 28.960 -99.200 -91.000 TYR 266 0.840 52.818 -7.008 31.773 -99.200 -91.000 PHE 268 1.000 58.434 -1.868 30.031 -99.200 -91.000 TYR 269 0.840 60.537 -2.385 37.720 -99.200 -91.000 HIS 271 0.900 69.131 -6.669 33.755 -99.200 -91.000 PHE 273 1.000 75.059 -8.844 35.988 -99.200 -91.000 TRP 278 1.040 78.318 4.942 33.656 -99.200 -91.000 TRP6 278 1.020 76.825 5.576 35.354 -99.200 -91.000