============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 4 1.000 -2.592 2.593 2.701 -99.200 -91.000 PHE 11 1.000 -6.325 5.450 12.268 -99.200 -91.000 PHE 13 1.000 -11.966 1.803 3.948 -99.200 -91.000 TRP 34 1.040 -21.197 7.912 3.549 -99.200 -91.000 TRP6 34 1.020 -20.369 9.624 4.962 -99.200 -91.000 TRP 37 1.040 -16.106 -0.192 0.529 -99.200 -91.000 TRP6 37 1.020 -14.205 0.201 -0.737 -99.200 -91.000 PHE 50 1.000 -16.467 8.016 3.725 -99.200 -91.000 TYR 61 0.840 -6.663 15.213 -4.951 -99.200 -91.000 PHE 68 1.000 -8.548 11.897 -8.298 -99.200 -91.000 PHE 77 1.000 -3.100 -7.588 -8.727 -99.200 -91.000 TYR 80 0.840 -2.589 -7.060 1.377 -99.200 -91.000 TYR 92 0.840 -9.411 1.125 -8.599 -99.200 -91.000 PHE 110 1.000 -18.419 11.786 -3.834 -99.200 -91.000 TYR 113 0.840 -12.100 7.025 -6.670 -99.200 -91.000 HIS 117 0.900 -17.051 3.939 -4.827 -99.200 -91.000 HIS 120 0.900 -12.673 0.530 -13.074 -99.200 -91.000 PHE 128 1.000 -6.768 0.359 -2.266 -99.200 -91.000 HIS 129 0.900 -6.705 -5.432 2.814 -99.200 -91.000 TYR 139 0.840 -8.994 -8.155 10.195 -99.200 -91.000 TYR 153 0.840 -2.516 -1.323 17.057 -99.200 -91.000 PHE 154 1.000 -2.876 1.852 24.514 -99.200 -91.000 PHE 156 1.000 -0.997 -6.254 17.152 -99.200 -91.000 TYR 161 0.840 6.480 -6.092 20.733 -99.200 -91.000 TYR 162 0.840 6.308 -6.398 27.766 -99.200 -91.000 TYR 178 0.840 -0.213 5.899 31.580 -99.200 -91.000 PHE 186 1.000 8.033 0.485 28.147 -99.200 -91.000 HIS 189 0.900 3.996 -2.724 24.816 -99.200 -91.000 TYR 199 0.840 -0.835 9.589 20.677 -99.200 -91.000 PHE 215 1.000 -2.860 16.069 25.951 -99.200 -91.000 TRP 245 1.040 11.470 4.130 25.887 -99.200 -91.000 TRP6 245 1.020 13.469 5.326 26.276 -99.200 -91.000 HIS 246 0.900 12.914 11.763 22.998 -99.200 -91.000 TYR 247 0.840 8.890 12.701 19.924 -99.200 -91.000 TYR 248 0.840 4.708 5.529 27.339 -99.200 -91.000 PHE 260 1.000 0.812 10.269 27.202 -99.200 -91.000 PHE 264 1.000 -0.686 6.150 25.466 -99.200 -91.000 TYR 266 0.840 -12.662 8.861 25.336 -99.200 -91.000 TYR 274 0.840 -9.141 0.513 14.721 -99.200 -91.000 PHE 276 1.000 -15.943 5.056 22.210 -99.200 -91.000 TYR 284 0.840 -13.146 11.732 28.862 -99.200 -91.000