============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 3 0.900 2.992 -6.294 39.347 -99.200 -91.000 TYR 7 0.840 -8.994 -1.473 30.695 -99.200 -91.000 PHE 8 1.000 -2.315 3.440 26.655 -99.200 -91.000 TYR 22 0.840 -14.824 2.955 22.313 -99.200 -91.000 TYR 27 0.840 -1.726 -1.463 26.231 -99.200 -91.000 PHE 33 1.000 -5.976 -6.987 30.508 -99.200 -91.000 PHE 36 1.000 -16.013 -3.120 21.393 -99.200 -91.000 TYR 45 0.840 -13.201 -5.526 26.210 -99.200 -91.000 TRP 51 1.040 -2.070 -13.800 30.752 -99.200 -91.000 TRP6 51 1.020 -3.519 -12.243 31.786 -99.200 -91.000 TYR 59 0.840 -13.414 -10.323 31.739 -99.200 -91.000 TRP 60 1.040 -14.058 -13.528 27.491 -99.200 -91.000 TRP6 60 1.020 -12.246 -12.048 27.171 -99.200 -91.000 PHE 74 1.000 -14.854 7.851 24.753 -99.200 -91.000 TYR 84 0.840 -17.797 21.154 24.920 -99.200 -91.000 TYR 85 0.840 -11.802 22.176 21.048 -99.200 -91.000 HIS 93 0.900 -12.089 17.358 14.177 -99.200 -91.000 TYR 113 0.840 -2.735 6.831 34.387 -99.200 -91.000 TYR 116 0.840 -11.708 11.907 28.457 -99.200 -91.000 TYR 118 0.840 -11.336 17.276 19.500 -99.200 -91.000 TYR 123 0.840 -11.305 18.398 26.221 -99.200 -91.000 TRP 133 1.040 -12.543 16.904 37.211 -99.200 -91.000 TRP6 133 1.020 -12.259 14.716 36.420 -99.200 -91.000 HIS 145 0.900 -16.060 25.426 34.934 -99.200 -91.000 TRP 147 1.040 -16.814 15.007 33.172 -99.200 -91.000 TRP6 147 1.020 -14.675 14.375 32.372 -99.200 -91.000 TYR 159 0.840 -12.173 2.009 36.797 -99.200 -91.000 TRP 167 1.040 -12.567 -6.508 38.149 -99.200 -91.000 TRP6 167 1.020 -13.135 -8.562 37.135 -99.200 -91.000 TYR 171 0.840 -8.039 -8.246 34.517 -99.200 -91.000 HIS 184 0.900 24.584 -10.594 14.887 -99.200 -91.000 HIS 187 0.900 34.699 -5.001 8.875 -99.200 -91.000 HIS 188 0.900 27.605 -4.054 7.781 -99.200 -91.000 TRP 200 1.040 23.152 -6.360 13.689 -99.200 -91.000 TRP6 200 1.020 21.013 -5.772 12.857 -99.200 -91.000 PHE 204 1.000 16.007 -6.603 22.647 -99.200 -91.000 TYR 205 0.840 8.425 -9.337 26.564 -99.200 -91.000 TRP 213 1.040 29.462 -0.004 19.125 -99.200 -91.000 TRP6 213 1.020 30.959 -1.771 18.698 -99.200 -91.000 PHE 237 1.000 9.663 -5.520 21.759 -99.200 -91.000 TRP 240 1.040 20.783 -1.402 13.512 -99.200 -91.000 TRP6 240 1.020 21.837 0.679 13.081 -99.200 -91.000 TYR 252 0.840 43.668 -0.953 18.838 -99.200 -91.000 TYR 253 0.840 36.826 1.751 17.973 -99.200 -91.000 HIS 256 0.900 31.259 -2.856 27.063 -99.200 -91.000 TYR 258 0.840 25.516 -2.220 29.952 -99.200 -91.000 HIS 259 0.900 16.711 -7.757 28.113 -99.200 -91.000 TRP 270 1.040 35.417 -7.774 12.570 -99.200 -91.000 TRP6 270 1.020 33.689 -8.908 11.428 -99.200 -91.000