============================================================================= 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. TYR 27 0.840 25.180 8.061 -10.529 -99.200 -91.000 PHE 29 1.000 20.723 3.572 -10.058 -99.200 -91.000 HIS 35 0.900 31.477 -0.124 -3.778 -99.200 -91.000 TRP 36 1.040 23.912 -0.964 -0.318 -99.200 -91.000 TRP6 36 1.020 22.274 0.596 0.401 -99.200 -91.000 HIS 41 0.900 27.892 4.370 19.068 -99.200 -91.000 TRP 47 1.040 32.486 -2.840 0.564 -99.200 -91.000 TRP6 47 1.020 32.488 -5.098 -0.162 -99.200 -91.000 TYR 54 0.840 28.349 -2.442 -14.584 -99.200 -91.000 TYR 60 0.840 25.332 -9.905 -0.816 -99.200 -91.000 PHE 64 1.000 28.228 -6.501 7.543 -99.200 -91.000 TYR 80 0.840 14.525 -0.310 -3.398 -99.200 -91.000 TYR 94 0.840 22.967 -0.694 8.516 -99.200 -91.000 TYR 95 0.840 27.396 6.811 6.339 -99.200 -91.000 TRP 100 1.040 36.880 9.445 -9.590 -99.200 -91.000 TRP6 100 1.020 38.828 10.671 -9.049 -99.200 -91.000 PHE 105 1.000 39.515 5.430 -4.606 -99.200 -91.000 TYR 107 0.840 30.631 12.029 -6.372 -99.200 -91.000 TRP 108 1.040 31.403 8.338 1.426 -99.200 -91.000 TRP6 108 1.020 31.519 6.499 2.918 -99.200 -91.000 PHE 127 1.000 7.097 19.916 27.494 -99.200 -91.000 TYR 150 0.840 13.980 12.242 20.698 -99.200 -91.000 PHE 151 1.000 13.461 3.810 21.233 -99.200 -91.000 TRP 159 1.040 16.843 27.136 17.280 -99.200 -91.000 TRP6 159 1.020 15.283 27.880 18.900 -99.200 -91.000 HIS 169 0.900 26.586 26.019 20.884 -99.200 -91.000 PHE 171 1.000 23.608 21.497 24.794 -99.200 -91.000 TYR 181 0.840 17.714 7.856 22.479 -99.200 -91.000 TYR 199 0.840 14.893 35.077 18.316 -99.200 -91.000 HIS 205 0.900 10.735 10.883 16.560 -99.200 -91.000