============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 -26.414 5.919 37.143 -99.200 -91.000 TRP 15 1.040 -14.647 -1.658 27.431 -99.200 -91.000 TRP6 15 1.020 -13.534 -1.187 25.381 -99.200 -91.000 HIS 16 0.900 -16.996 -3.555 32.664 -99.200 -91.000 TYR 24 0.840 -7.895 -14.538 38.426 -99.200 -91.000 PHE 51 1.000 -18.757 6.415 50.793 -99.200 -91.000 HIS 53 0.900 -21.907 16.012 54.764 -99.200 -91.000 PHE 56 1.000 -12.797 11.526 52.875 -99.200 -91.000 HIS 59 0.900 -0.218 13.956 56.815 -99.200 -91.000 HIS 61 0.900 -3.894 13.672 50.663 -99.200 -91.000 PHE 67 1.000 2.574 1.149 58.660 -99.200 -91.000 TYR 88 0.840 -24.502 10.328 28.373 -99.200 -91.000 TRP 100 1.040 -6.228 -3.214 47.747 -99.200 -91.000 TRP6 100 1.020 -8.314 -2.498 46.848 -99.200 -91.000 HIS 110 0.900 -3.782 -10.560 54.271 -99.200 -91.000 TYR 115 0.840 8.222 -11.811 46.555 -99.200 -91.000 PHE 123 1.000 3.832 2.006 50.624 -99.200 -91.000 TYR 135 0.840 -8.872 17.423 37.167 -99.200 -91.000 TYR 136 0.840 -7.514 9.690 40.926 -99.200 -91.000 PHE 138 1.000 -5.365 8.033 45.995 -99.200 -91.000 TYR 146 0.840 1.259 -9.167 44.123 -99.200 -91.000 TRP 148 1.040 -0.067 -14.315 39.992 -99.200 -91.000 TRP6 148 1.020 -2.304 -14.857 39.433 -99.200 -91.000 TRP 155 1.040 7.362 -13.567 38.300 -99.200 -91.000 TRP6 155 1.020 8.425 -12.587 40.177 -99.200 -91.000 HIS 159 0.900 -1.154 -5.458 41.009 -99.200 -91.000 HIS 161 0.900 -5.277 -4.865 43.703 -99.200 -91.000 PHE 162 1.000 -6.664 4.091 41.544 -99.200 -91.000 TYR 178 0.840 -2.878 -3.904 35.364 -99.200 -91.000 PHE 179 1.000 2.392 2.202 38.360 -99.200 -91.000 TYR 220 0.840 3.789 6.486 36.249 -99.200 -91.000 PHE 222 1.000 -6.540 4.251 36.314 -99.200 -91.000 HIS 233 0.900 -35.053 9.613 27.395 -99.200 -91.000 PHE 234 1.000 -40.137 11.522 25.373 -99.200 -91.000