============================================================================= 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. HIS 18 0.900 11.987 -2.275 40.011 -99.200 -91.000 PHE 19 1.000 14.342 5.307 37.128 -99.200 -91.000 TRP 23 1.040 3.744 -7.873 31.072 -99.200 -91.000 TRP6 23 1.020 1.421 -7.815 31.531 -99.200 -91.000 HIS 24 0.900 8.135 -4.304 36.819 -99.200 -91.000 TYR 27 0.840 3.180 -9.167 46.744 -99.200 -91.000 TRP 47 1.040 0.897 6.659 33.690 -99.200 -91.000 TRP6 47 1.020 -1.088 7.819 34.236 -99.200 -91.000 PHE 50 1.000 -8.019 0.006 32.707 -99.200 -91.000 PHE 60 1.000 -8.780 -7.075 23.808 -99.200 -91.000 TYR 61 0.840 -18.767 -10.219 19.930 -99.200 -91.000 TRP 64 1.040 -20.345 -10.753 33.934 -99.200 -91.000 TRP6 64 1.020 -20.726 -8.427 33.735 -99.200 -91.000 TYR 67 0.840 -14.159 -7.990 27.907 -99.200 -91.000 PHE 71 1.000 -10.205 -10.528 27.018 -99.200 -91.000 PHE 78 1.000 -2.571 -6.127 29.293 -99.200 -91.000 TRP 79 1.040 -10.817 -6.208 30.636 -99.200 -91.000 TRP6 79 1.020 -11.101 -3.919 30.137 -99.200 -91.000 HIS 86 0.900 -14.164 -3.244 43.271 -99.200 -91.000 PHE 103 1.000 -3.310 0.440 11.904 -99.200 -91.000 TYR 107 0.840 2.852 7.690 19.486 -99.200 -91.000 PHE 109 1.000 -2.674 13.788 26.247 -99.200 -91.000 TYR 112 0.840 -11.382 10.981 30.715 -99.200 -91.000 PHE 115 1.000 -11.118 3.629 35.185 -99.200 -91.000 TYR 124 0.840 -17.030 -6.437 37.268 -99.200 -91.000 PHE 131 1.000 -10.755 15.800 28.150 -99.200 -91.000 PHE 142 1.000 -22.726 8.564 25.368 -99.200 -91.000 HIS 143 0.900 -19.370 5.200 26.826 -99.200 -91.000 PHE 148 1.000 -17.023 -4.218 30.744 -99.200 -91.000 PHE 166 1.000 -22.878 0.332 18.131 -99.200 -91.000 TRP 170 1.040 -16.609 1.607 26.372 -99.200 -91.000 TRP6 170 1.020 -14.263 1.323 26.546 -99.200 -91.000 TRP 171 1.040 -17.479 0.619 32.416 -99.200 -91.000 TRP6 171 1.020 -15.254 0.672 31.623 -99.200 -91.000 TYR 172 0.840 -20.745 -1.239 24.351 -99.200 -91.000 HIS 176 0.900 -19.223 3.265 20.440 -99.200 -91.000 TYR 184 0.840 -5.405 -4.058 15.731 -99.200 -91.000 HIS 189 0.900 -14.381 0.838 11.477 -99.200 -91.000 PHE 192 1.000 -22.366 4.183 13.232 -99.200 -91.000 TRP 198 1.040 -11.370 9.126 22.438 -99.200 -91.000 TRP6 198 1.020 -11.443 8.037 24.544 -99.200 -91.000 TYR 204 0.840 -19.632 7.209 16.587 -99.200 -91.000 TYR 206 0.840 -7.805 5.426 11.578 -99.200 -91.000 TYR 208 0.840 -7.485 6.005 17.677 -99.200 -91.000