============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 4 0.900 40.767 44.633 74.498 -99.200 -91.000 PHE 7 1.000 39.439 36.305 67.578 -99.200 -91.000 HIS 13 0.900 39.393 20.165 67.430 -99.200 -91.000 HIS 15 0.900 31.051 25.748 67.007 -99.200 -91.000 TYR 17 0.840 42.773 23.320 64.218 -99.200 -91.000 HIS 31 0.900 46.124 44.356 65.599 -99.200 -91.000 TYR 35 0.840 38.996 32.423 71.537 -99.200 -91.000 PHE 41 1.000 37.897 23.335 73.749 -99.200 -91.000 TYR 55 0.840 31.183 29.930 77.572 -99.200 -91.000 PHE 59 1.000 25.689 23.159 74.793 -99.200 -91.000 PHE 62 1.000 20.571 20.470 76.771 -99.200 -91.000 HIS 63 0.900 27.941 17.011 78.650 -99.200 -91.000 HIS 78 0.900 15.314 25.168 68.279 -99.200 -91.000 TYR 81 0.840 22.012 28.973 69.140 -99.200 -91.000 TYR 106 0.840 29.223 37.716 65.332 -99.200 -91.000 PHE 109 1.000 26.340 27.124 69.787 -99.200 -91.000 PHE 111 1.000 22.647 34.476 65.457 -99.200 -91.000 TRP 121 1.040 30.894 46.161 75.374 -99.200 -91.000 TRP6 121 1.020 32.006 44.148 74.954 -99.200 -91.000 PHE 132 1.000 28.445 23.788 53.409 -99.200 -91.000 HIS 137 0.900 20.737 34.666 46.447 -99.200 -91.000 TYR 138 0.840 23.299 26.627 51.736 -99.200 -91.000 PHE 141 1.000 22.956 26.172 61.687 -99.200 -91.000 TRP 145 1.040 16.437 24.452 62.331 -99.200 -91.000 TRP6 145 1.020 17.086 26.750 62.266 -99.200 -91.000 HIS 152 0.900 14.363 30.709 62.146 -99.200 -91.000 HIS 160 0.900 8.676 35.912 68.572 -99.200 -91.000 TYR 170 0.840 22.167 43.380 75.123 -99.200 -91.000 TYR 179 0.840 19.437 40.339 66.096 -99.200 -91.000 TRP 180 1.040 18.690 32.640 63.556 -99.200 -91.000 TRP6 180 1.020 18.140 31.857 65.714 -99.200 -91.000 PHE 190 1.000 38.103 30.656 60.109 -99.200 -91.000 PHE 195 1.000 32.992 21.345 51.199 -99.200 -91.000 PHE 198 1.000 21.964 27.943 46.173 -99.200 -91.000 PHE 202 1.000 27.055 32.968 50.424 -99.200 -91.000 PHE 206 1.000 28.539 36.533 53.341 -99.200 -91.000 PHE 208 1.000 32.815 32.165 50.707 -99.200 -91.000 TRP 218 1.040 53.290 6.662 59.277 -99.200 -91.000 TRP6 218 1.020 52.736 6.444 56.990 -99.200 -91.000 PHE 236 1.000 33.278 13.702 73.067 -99.200 -91.000 HIS 239 0.900 31.185 4.249 67.063 -99.200 -91.000 PHE 242 1.000 34.637 2.181 60.418 -99.200 -91.000 PHE 243 1.000 38.527 3.108 64.564 -99.200 -91.000 PHE 250 1.000 41.330 -1.615 52.960 -99.200 -91.000 TRP 255 1.040 44.658 -1.089 49.472 -99.200 -91.000 TRP6 255 1.020 44.299 1.231 49.196 -99.200 -91.000 HIS 256 0.900 51.273 0.513 56.722 -99.200 -91.000 PHE 263 1.000 37.565 11.091 74.849 -99.200 -91.000 HIS 279 0.900 50.152 4.877 65.380 -99.200 -91.000 TRP 281 1.040 45.646 12.608 69.352 -99.200 -91.000 TRP6 281 1.020 45.170 11.963 71.532 -99.200 -91.000 PHE 284 1.000 43.966 12.680 61.444 -99.200 -91.000 HIS 285 0.900 49.979 18.039 55.221 -99.200 -91.000 HIS 290 0.900 54.086 9.827 52.713 -99.200 -91.000 HIS 297 0.900