============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 37.605 21.919 28.331 -99.200 -91.000 PHE 14 1.000 53.047 43.253 24.419 -99.200 -91.000 PHE 39 1.000 52.423 35.263 31.092 -99.200 -91.000 TYR 40 0.840 54.487 27.781 32.805 -99.200 -91.000 TYR 44 0.840 41.379 24.655 26.594 -99.200 -91.000 PHE 51 1.000 33.152 30.243 39.445 -99.200 -91.000 PHE 54 1.000 36.232 29.429 43.559 -99.200 -91.000 TYR 60 0.840 33.494 33.379 45.660 -99.200 -91.000 PHE 67 1.000 26.451 43.191 44.557 -99.200 -91.000 PHE 71 1.000 23.718 45.618 34.430 -99.200 -91.000 PHE 73 1.000 21.888 40.821 23.414 -99.200 -91.000 TRP 80 1.040 22.975 46.305 24.085 -99.200 -91.000 TRP6 80 1.020 23.125 48.192 22.681 -99.200 -91.000 TRP 81 1.040 24.710 45.198 28.162 -99.200 -91.000 TRP6 81 1.020 25.125 42.899 28.488 -99.200 -91.000 TRP 89 1.040 28.239 30.085 39.465 -99.200 -91.000 TRP6 89 1.020 28.709 27.806 38.988 -99.200 -91.000 HIS 91 0.900 19.925 28.903 38.002 -99.200 -91.000 HIS 101 0.900 21.876 24.174 28.039 -99.200 -91.000 HIS 105 0.900 28.750 26.490 25.601 -99.200 -91.000 HIS 109 0.900 25.251 36.491 34.361 -99.200 -91.000 TRP 112 1.040 39.611 42.385 39.047 -99.200 -91.000 TRP6 112 1.020 40.563 42.587 41.193 -99.200 -91.000 TYR 118 0.840 38.894 28.882 38.754 -99.200 -91.000 TRP 121 1.040 40.051 26.332 45.166 -99.200 -91.000 TRP6 121 1.020 39.724 25.110 43.182 -99.200 -91.000 TRP 132 1.040 43.622 38.799 28.074 -99.200 -91.000 TRP6 132 1.020 43.115 39.670 25.940 -99.200 -91.000 TYR 134 0.840 54.539 38.408 24.955 -99.200 -91.000 HIS 141 0.900 55.453 44.899 15.545 -99.200 -91.000 PHE 145 1.000 40.810 40.940 13.546 -99.200 -91.000 TRP 147 1.040 42.653 35.718 12.804 -99.200 -91.000 TRP6 147 1.020 41.192 35.760 14.652 -99.200 -91.000 HIS 157 0.900 32.622 33.009 10.658 -99.200 -91.000 TYR 158 0.840 41.627 31.270 12.010 -99.200 -91.000 TRP 162 1.040 25.235 40.256 16.104 -99.200 -91.000 TRP6 162 1.020 23.832 39.825 17.954 -99.200 -91.000 PHE 166 1.000 24.359 44.323 19.645 -99.200 -91.000 PHE 176 1.000 29.726 27.312 18.821 -99.200 -91.000 PHE 185 1.000 34.719 29.642 16.741 -99.200 -91.000 TYR 190 0.840 52.736 33.702 22.274 -99.200 -91.000 TYR 193 0.840 42.380 25.874 21.823 -99.200 -91.000 TRP 200 1.040 33.579 41.982 26.840 -99.200 -91.000 TRP6 200 1.020 35.279 43.500 26.214 -99.200 -91.000 TRP 202 1.040 36.246 40.206 35.431 -99.200 -91.000 TRP6 202 1.020 35.916 42.527 35.706 -99.200 -91.000 TRP 206 1.040 43.442 49.744 40.794 -99.200 -91.000 TRP6 206 1.020 41.179 49.466 41.408 -99.200 -91.000 TRP 207 1.040 39.638 52.684 32.069 -99.200 -91.000 TRP6 207 1.020 39.570 51.640 29.953 -99.200 -91.000 HIS 210 0.900 44.795 60.426 30.618 -99.200 -91.000 HIS 211 0.900 47.265 53.415 28.382 -99.200 -91.000 TYR 235 0.840 27.326 35.928 23.915 -99.200 -91.000 HIS 238 0.900 28.459 43.334 12.772 -99.200 -91.000 TYR 241 0.840 27.391 46.318 19.237 -99.200 -91.000 TYR 243 0.840 37.587 46.925 14.431 -99.200 -91.000 TYR 245 0.840 35.762 41.932 15.980 -99.200 -91.000 PHE 264 1.000 37.714 33.591 36.096 -99.200 -91.000