============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 4 1.000 54.423 -4.503 66.771 -99.200 -91.000 TRP 14 1.040 54.373 -8.865 69.427 -99.200 -91.000 TRP6 14 1.020 54.189 -9.963 67.357 -99.200 -91.000 PHE 25 1.000 34.997 -14.894 43.289 -99.200 -91.000 HIS 42 0.900 54.634 9.791 57.948 -99.200 -91.000 PHE 45 1.000 54.638 5.495 67.235 -99.200 -91.000 HIS 53 0.900 40.227 2.461 68.901 -99.200 -91.000 HIS 59 0.900 52.189 -0.655 54.306 -99.200 -91.000 PHE 75 1.000 48.274 -16.559 42.551 -99.200 -91.000 TRP 90 1.040 41.656 -5.858 41.129 -99.200 -91.000 TRP6 90 1.020 42.765 -4.323 39.704 -99.200 -91.000 TYR 99 0.840 42.967 7.961 38.428 -99.200 -91.000 HIS 100 0.900 45.456 -0.277 40.513 -99.200 -91.000 HIS 102 0.900 42.961 6.995 44.790 -99.200 -91.000 TRP 110 1.040 47.860 1.211 52.332 -99.200 -91.000 TRP6 110 1.020 48.234 3.279 53.407 -99.200 -91.000 PHE 112 1.000 47.370 -6.955 52.979 -99.200 -91.000 PHE 120 1.000 54.786 -5.653 60.170 -99.200 -91.000 PHE 123 1.000 48.162 -18.892 59.659 -99.200 -91.000 PHE 124 1.000 49.677 -11.736 54.459 -99.200 -91.000 HIS 125 0.900 40.651 -11.890 53.181 -99.200 -91.000 HIS 135 0.900 51.888 -18.255 40.803 -99.200 -91.000 PHE 156 1.000 60.861 1.040 39.887 -99.200 -91.000 HIS 157 0.900 51.958 6.050 40.496 -99.200 -91.000 HIS 188 0.900 66.389 1.199 35.232 -99.200 -91.000 PHE 195 1.000 70.879 18.717 39.865 -99.200 -91.000 HIS 202 0.900 74.592 2.496 53.174 -99.200 -91.000 TYR 210 0.840 69.151 1.447 43.839 -99.200 -91.000 TYR 218 0.840 70.316 20.016 56.112 -99.200 -91.000 HIS 247 0.900 55.741 24.038 55.595 -99.200 -91.000 PHE 249 1.000 53.688 18.493 47.648 -99.200 -91.000 TYR 267 0.840 50.670 8.313 55.443 -99.200 -91.000 TRP 281 1.040 51.820 26.236 40.515 -99.200 -91.000 TRP6 281 1.020 49.466 26.280 40.192 -99.200 -91.000 HIS 287 0.900 50.748 25.962 30.826 -99.200 -91.000 HIS 289 0.900 50.781 20.590 33.867 -99.200 -91.000 HIS 291 0.900 50.987 15.328 37.679 -99.200 -91.000 PHE 310 1.000 63.730 -14.392 35.873 -99.200 -91.000 TYR 311 0.840 63.490 -11.317 32.026 -99.200 -91.000 HIS 322 0.900 69.743 -2.235 60.149 -99.200 -91.000 PHE 324 1.000 66.708 -6.845 62.702 -99.200 -91.000 PHE 327 1.000 55.527 -14.775 62.726 -99.200 -91.000 PHE 334 1.000 55.958 -0.069 63.945 -99.200 -91.000