============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 14 0.900 -26.277 6.489 -32.923 -99.200 -91.000 PHE 15 1.000 -31.349 6.403 -26.525 -99.200 -91.000 TRP 19 1.040 -13.634 7.466 -28.583 -99.200 -91.000 TRP6 19 1.020 -12.601 9.557 -28.970 -99.200 -91.000 HIS 20 0.900 -21.307 7.414 -31.074 -99.200 -91.000 TYR 23 0.840 -19.872 12.847 -42.155 -99.200 -91.000 TRP 43 1.040 -23.000 17.418 -22.243 -99.200 -91.000 TRP6 43 1.020 -22.816 19.773 -22.087 -99.200 -91.000 PHE 46 1.000 -12.984 21.180 -25.245 -99.200 -91.000 PHE 56 1.000 -3.623 15.750 -21.916 -99.200 -91.000 TYR 57 0.840 6.031 21.123 -20.412 -99.200 -91.000 TRP 60 1.040 0.738 26.685 -32.297 -99.200 -91.000 TRP6 60 1.020 -0.511 28.071 -30.854 -99.200 -91.000 TYR 63 0.840 -1.835 21.037 -25.794 -99.200 -91.000 PHE 67 1.000 -1.959 16.306 -26.544 -99.200 -91.000 PHE 74 1.000 -10.363 12.794 -25.935 -99.200 -91.000 TRP 75 1.040 -6.153 19.890 -27.131 -99.200 -91.000 TRP6 75 1.020 -7.304 21.168 -25.505 -99.200 -91.000 HIS 82 0.900 -12.044 28.202 -35.826 -99.200 -91.000 PHE 95 1.000 -6.728 11.054 -7.285 -99.200 -91.000 TYR 99 0.840 -18.703 11.420 -9.587 -99.200 -91.000 PHE 101 1.000 -22.406 21.550 -12.301 -99.200 -91.000 TYR 104 0.840 -17.425 28.804 -17.665 -99.200 -91.000 PHE 107 1.000 -14.815 26.270 -25.374 -99.200 -91.000 TYR 116 0.840 -5.543 27.074 -32.668 -99.200 -91.000 PHE 123 1.000 -19.960 29.472 -12.884 -99.200 -91.000 HIS 134 0.900 -7.124 31.005 -17.486 -99.200 -91.000 PHE 139 1.000 -3.893 26.101 -25.996 -99.200 -91.000 PHE 157 1.000 1.156 26.547 -11.375 -99.200 -91.000 TRP 161 1.040 -6.217 26.934 -18.886 -99.200 -91.000 TRP6 161 1.020 -7.306 24.900 -19.392 -99.200 -91.000 TRP 162 1.040 -7.677 29.320 -24.294 -99.200 -91.000 TRP6 162 1.020 -8.609 27.409 -23.245 -99.200 -91.000 TYR 163 0.840 -0.742 28.579 -19.061 -99.200 -91.000 HIS 167 0.900 -2.796 28.065 -13.165 -99.200 -91.000 TYR 175 0.840 -3.745 11.887 -13.425 -99.200 -91.000 HIS 180 0.900 -0.312 20.454 -7.467 -99.200 -91.000 TRP 184 1.040 -12.367 25.061 -11.555 -99.200 -91.000 TRP6 184 1.020 -12.568 25.279 -13.900 -99.200 -91.000 TYR 190 0.840 -7.187 16.970 -4.731 -99.200 -91.000 TYR 192 0.840 -10.300 18.911 -9.511 -99.200 -91.000