============================================================================= 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. TYR 2 0.840 26.787 15.890 21.016 -99.200 -91.000 TYR 9 0.840 30.298 10.535 31.755 -99.200 -91.000 HIS 10 0.900 38.409 10.584 31.863 -99.200 -91.000 TYR 14 0.840 29.659 13.499 36.985 -99.200 -91.000 TRP 32 1.040 13.802 31.106 34.629 -99.200 -91.000 TRP6 32 1.020 14.901 32.158 36.451 -99.200 -91.000 HIS 33 0.900 15.419 33.758 31.543 -99.200 -91.000 PHE 35 1.000 18.617 26.010 26.311 -99.200 -91.000 PHE 52 1.000 26.245 13.654 27.547 -99.200 -91.000 HIS 58 0.900 19.437 18.204 36.673 -99.200 -91.000 PHE 59 1.000 21.536 18.775 29.320 -99.200 -91.000 TYR 65 0.840 12.144 26.921 33.280 -99.200 -91.000 PHE 76 1.000 16.078 18.276 26.937 -99.200 -91.000 PHE 84 1.000 22.488 16.127 23.698 -99.200 -91.000 TRP 87 1.040 25.784 8.948 24.162 -99.200 -91.000 TRP6 87 1.020 25.559 9.662 21.912 -99.200 -91.000 TYR 99 0.840 6.454 30.126 40.058 -99.200 -91.000 TRP 102 1.040 -4.007 24.646 31.524 -99.200 -91.000 TRP6 102 1.020 -2.518 22.878 32.030 -99.200 -91.000 TYR 106 0.840 -10.079 23.261 36.302 -99.200 -91.000 TRP 109 1.040 -2.316 29.106 41.970 -99.200 -91.000 TRP6 109 1.020 -0.658 30.122 43.332 -99.200 -91.000 TYR 114 0.840 -0.327 23.308 36.911 -99.200 -91.000 TYR 130 0.840 12.232 7.044 32.584 -99.200 -91.000 PHE 134 1.000 5.842 16.947 37.773 -99.200 -91.000 TYR 135 0.840 12.869 20.047 41.041 -99.200 -91.000 HIS 136 0.900 3.615 22.312 44.266 -99.200 -91.000 HIS 137 0.900 8.631 26.207 38.509 -99.200 -91.000 HIS 154 0.900 -1.432 8.288 40.120 -99.200 -91.000 HIS 158 0.900 0.153 4.106 38.942 -99.200 -91.000 TYR 163 0.840 15.619 9.154 41.829 -99.200 -91.000 TYR 169 0.840 6.857 23.276 48.753 -99.200 -91.000 HIS 191 0.900 13.968 23.677 48.755 -99.200 -91.000 TYR 195 0.840 23.507 29.330 49.283 -99.200 -91.000 PHE 198 1.000 26.066 40.356 45.462 -99.200 -91.000 TRP 201 1.040 16.206 31.673 50.447 -99.200 -91.000 TRP6 201 1.020 14.893 29.815 51.166 -99.200 -91.000 PHE 220 1.000 15.690 29.579 41.905 -99.200 -91.000 TYR 232 0.840 25.589 45.230 36.726 -99.200 -91.000 TRP 264 1.040 30.617 31.858 49.266 -99.200 -91.000 TRP6 264 1.020 28.271 32.014 49.597 -99.200 -91.000 PHE 296 1.000 35.300 29.722 47.942 -99.200 -91.000 PHE 312 1.000 32.500 51.890 56.483 -99.200 -91.000