============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 17 1.000 31.560 -80.629 31.866 -99.200 -91.000 PHE 22 1.000 41.044 -68.839 32.814 -99.200 -91.000 PHE 24 1.000 37.677 -71.539 22.399 -99.200 -91.000 TRP 36 1.040 37.458 -61.055 17.536 -99.200 -91.000 TRP6 36 1.020 37.117 -62.783 19.116 -99.200 -91.000 PHE 42 1.000 28.494 -63.579 14.273 -99.200 -91.000 PHE 55 1.000 33.040 -74.768 25.576 -99.200 -91.000 TYR 59 0.840 21.140 -74.303 27.258 -99.200 -91.000 PHE 78 1.000 26.850 -70.139 27.806 -99.200 -91.000 TYR 91 0.840 25.616 -64.972 18.237 -99.200 -91.000 HIS 95 0.900 24.308 -70.888 17.743 -99.200 -91.000 TRP 100 1.040 16.413 -75.435 26.238 -99.200 -91.000 TRP6 100 1.020 14.481 -74.167 26.750 -99.200 -91.000 PHE 105 1.000 9.225 -75.360 24.650 -99.200 -91.000 HIS 112 0.900 16.873 -86.117 14.922 -99.200 -91.000 PHE 114 1.000 14.832 -75.593 11.119 -99.200 -91.000 PHE 124 1.000 27.974 -68.684 13.644 -99.200 -91.000 TYR 127 0.840 14.026 -65.026 21.513 -99.200 -91.000 HIS 151 0.900 3.846 -72.064 1.878 -99.200 -91.000 TYR 152 0.840 1.687 -70.210 10.521 -99.200 -91.000 PHE 160 1.000 17.027 -52.087 20.478 -99.200 -91.000 TYR 170 0.840 17.790 -64.465 10.970 -99.200 -91.000 PHE 198 1.000 18.764 -60.202 7.631 -99.200 -91.000 TRP 207 1.040 26.606 -57.514 24.875 -99.200 -91.000 TRP6 207 1.020 24.596 -58.749 24.662 -99.200 -91.000 PHE 217 1.000 10.401 -61.536 9.848 -99.200 -91.000 PHE 235 1.000 5.253 -63.382 26.461 -99.200 -91.000 HIS 258 0.900 37.223 -64.923 39.101 -99.200 -91.000 HIS 267 0.900 46.866 -50.824 37.765 -99.200 -91.000 PHE 274 1.000 50.718 -40.010 46.039 -99.200 -91.000 TYR 283 0.840 37.988 -45.045 48.973 -99.200 -91.000 PHE 286 1.000 38.950 -50.787 54.841 -99.200 -91.000 PHE 326 1.000 23.431 -59.712 44.862 -99.200 -91.000 PHE 332 1.000 27.994 -50.593 35.071 -99.200 -91.000 HIS 342 0.900 42.802 -51.673 35.914 -99.200 -91.000 TYR 345 0.840 48.151 -45.903 32.785 -99.200 -91.000 TYR 347 0.840 37.510 -42.508 29.209 -99.200 -91.000 TYR 351 0.840 45.965 -50.606 30.524 -99.200 -91.000 TYR 356 0.840 36.806 -58.164 31.181 -99.200 -91.000 HIS 363 0.900 26.019 -58.864 30.261 -99.200 -91.000