============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 87 rings ring int. center anis. iso. TRP 15 1.040 15.551 -30.143 -2.876 -99.200 -91.000 TRP6 15 1.020 16.592 -32.236 -2.626 -99.200 -91.000 TYR 20 0.840 5.357 -36.996 -10.125 -99.200 -91.000 PHE 25 1.000 9.925 -43.468 -13.231 -99.200 -91.000 PHE 42 1.000 -2.570 -23.113 -12.265 -99.200 -91.000 HIS 47 0.900 -5.199 -33.975 -9.818 -99.200 -91.000 PHE 48 1.000 4.775 -32.668 -6.619 -99.200 -91.000 PHE 49 1.000 2.003 -30.362 -2.300 -99.200 -91.000 TYR 51 0.840 2.614 -40.105 -8.751 -99.200 -91.000 TRP 59 1.040 1.863 -30.400 2.682 -99.200 -91.000 TRP6 59 1.020 1.527 -28.378 1.527 -99.200 -91.000 TYR 67 0.840 -6.539 -24.188 3.879 -99.200 -91.000 PHE 73 1.000 -6.803 -10.920 -11.552 -99.200 -91.000 TRP 76 1.040 -5.834 -5.522 -12.345 -99.200 -91.000 TRP6 76 1.020 -4.008 -6.208 -13.671 -99.200 -91.000 TYR 82 0.840 -13.685 -5.776 -4.493 -99.200 -91.000 PHE 83 1.000 -12.044 -9.218 -12.226 -99.200 -91.000 TYR 84 0.840 -12.983 -11.806 -4.441 -99.200 -91.000 HIS 85 0.900 -9.105 -16.884 -12.670 -99.200 -91.000 PHE 87 1.000 -7.861 -21.992 -7.366 -99.200 -91.000 PHE 96 1.000 -28.006 -20.613 -24.168 -99.200 -91.000 TRP 101 1.040 -29.049 -18.646 -18.200 -99.200 -91.000 TRP6 101 1.020 -31.107 -18.176 -19.230 -99.200 -91.000 TRP 102 1.040 -24.369 -10.695 -13.991 -99.200 -91.000 TRP6 102 1.020 -23.016 -9.142 -15.147 -99.200 -91.000 PHE 108 1.000 -18.929 -13.341 -14.265 -99.200 -91.000 TYR 113 0.840 -17.421 -17.455 -10.860 -99.200 -91.000 HIS 116 0.900 -17.745 -10.981 -5.167 -99.200 -91.000 PHE 133 1.000 -16.623 -24.375 -0.447 -99.200 -91.000 PHE 147 1.000 -9.828 -29.745 -3.351 -99.200 -91.000 TYR 149 0.840 -8.422 -26.421 -0.173 -99.200 -91.000 TYR 151 0.840 -2.608 -26.587 -0.488 -99.200 -91.000 HIS 152 0.900 -2.779 -17.581 -0.603 -99.200 -91.000 PHE 153 1.000 3.551 -23.723 -1.691 -99.200 -91.000 TYR 161 0.840 6.940 -32.094 4.334 -99.200 -91.000 TYR 165 0.840 8.190 -37.930 -0.495 -99.200 -91.000 HIS 173 0.900 21.335 -31.975 -0.494 -99.200 -91.000 HIS 180 0.900 33.486 -28.571 -18.671 -99.200 -91.000 TRP 188 1.040 23.042 -36.647 -27.057 -99.200 -91.000 TRP6 188 1.020 21.390 -38.207 -26.418 -99.200 -91.000 HIS 193 0.900 33.657 -32.756 -15.312 -99.200 -91.000 HIS 197 0.900 30.644 -33.329 -2.856 -99.200 -91.000 PHE 205 1.000 23.742 -35.295 -16.783 -99.200 -91.000 PHE 211 1.000 14.202 -15.823 -13.840 -99.200 -91.000 PHE 224 1.000 13.822 -17.571 -22.246 -99.200 -91.000 PHE 227 1.000 6.628 -16.025 -23.894 -99.200 -91.000 TYR 252 0.840 -9.179 -12.290 -0.908 -99.200 -91.000 TRP 262 1.040 1.047 -7.759 -11.989 -99.200 -91.000 TRP6 262 1.020 0.848 -9.450 -10.351 -99.200 -91.000 TRP 264 1.040 3.564 -11.067 -4.539 -99.200 -91.000 TRP6 264 1.020 5.460 -10.953 -5.921 -99.200 -91.000 PHE 269 1.000 -1.047 -19.426 11.433 -99.200 -91.000 TYR 276 0.840 5.066 -1.543 -8.865 -99.200 -91.000 TYR 278 0.840 10.020 -2.610 -11.438 -99.200 -91.000 PHE 282 1.000 6.10