============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 41.419 5.568 -40.996 -99.200 -91.000 TYR 32 0.840 38.271 3.819 -48.899 -99.200 -91.000 TRP 33 1.040 42.834 10.696 -50.962 -99.200 -91.000 TRP6 33 1.020 42.273 12.054 -52.805 -99.200 -91.000 TRP 36 1.040 37.813 15.498 -38.920 -99.200 -91.000 TRP6 36 1.020 36.251 14.464 -37.483 -99.200 -91.000 TRP 47 1.040 37.354 19.769 -47.111 -99.200 -91.000 TRP6 47 1.020 39.143 21.280 -47.369 -99.200 -91.000 TYR 58 0.840 50.380 8.773 -42.806 -99.200 -91.000 TYR 61 0.840 46.359 18.815 -49.186 -99.200 -91.000 TYR 62 0.840 44.826 21.645 -41.461 -99.200 -91.000 PHE 70 1.000 39.019 23.532 -36.140 -99.200 -91.000 TYR 82 0.840 43.073 10.151 -33.196 -99.200 -91.000 TYR 95 0.840 33.248 20.552 -35.982 -99.200 -91.000 TYR 96 0.840 27.397 15.286 -40.476 -99.200 -91.000 PHE 98 1.000 32.606 14.024 -48.084 -99.200 -91.000 TYR 103 0.840 32.003 4.759 -48.411 -99.200 -91.000 TRP 104 1.040 28.478 12.607 -46.493 -99.200 -91.000 TRP6 104 1.020 28.953 14.847 -45.872 -99.200 -91.000 TYR 123 0.840 9.544 15.784 -15.530 -99.200 -91.000 TYR 140 0.840 17.622 19.557 -24.290 -99.200 -91.000 PHE 141 1.000 23.361 25.864 -23.750 -99.200 -91.000 TRP 149 1.040 9.824 6.858 -28.401 -99.200 -91.000 TRP6 149 1.020 8.581 7.122 -26.415 -99.200 -91.000 HIS 159 0.900 5.029 12.011 -36.008 -99.200 -91.000 PHE 161 1.000 6.014 16.741 -32.006 -99.200 -91.000 TYR 170 0.840 18.371 24.681 -26.982 -99.200 -91.000 TRP 183 1.040 1.882 1.252 -23.085 -99.200 -91.000 TRP6 183 1.020 0.237 2.632 -22.109 -99.200 -91.000 HIS 194 0.900 22.438 17.359 -22.526 -99.200 -91.000