============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 4 0.900 35.776 235.261 181.967 -99.200 -91.000 TYR 5 0.840 33.275 234.235 189.141 -99.200 -91.000 TYR 21 0.840 43.674 224.671 199.655 -99.200 -91.000 TYR 22 0.840 44.346 220.654 196.560 -99.200 -91.000 PHE 33 1.000 28.041 229.664 190.443 -99.200 -91.000 HIS 53 0.900 46.519 199.567 203.159 -99.200 -91.000 PHE 62 1.000 40.570 201.866 189.124 -99.200 -91.000 PHE 63 1.000 47.110 199.477 197.564 -99.200 -91.000 PHE 65 1.000 43.604 209.308 192.300 -99.200 -91.000 HIS 68 0.900 49.475 211.183 194.801 -99.200 -91.000 TYR 73 0.840 42.750 213.317 203.845 -99.200 -91.000 TYR 81 0.840 43.750 225.942 213.372 -99.200 -91.000 HIS 91 0.900 41.411 208.187 216.876 -99.200 -91.000 PHE 96 1.000 43.710 195.671 216.147 -99.200 -91.000 PHE 100 1.000 33.869 188.779 213.845 -99.200 -91.000 TRP 119 1.040 47.420 187.369 211.435 -99.200 -91.000 TRP6 119 1.020 45.182 187.703 210.766 -99.200 -91.000 TYR 120 0.840 48.540 193.638 215.984 -99.200 -91.000 TYR 131 0.840 35.902 196.242 227.445 -99.200 -91.000 PHE 137 1.000 38.114 181.835 213.549 -99.200 -91.000 PHE 141 1.000 47.666 198.766 213.792 -99.200 -91.000 HIS 147 0.900 38.735 207.987 213.088 -99.200 -91.000 TYR 151 0.840 29.714 220.603 208.269 -99.200 -91.000 PHE 152 1.000 33.230 220.109 212.005 -99.200 -91.000 TYR 157 0.840 40.553 220.267 200.834 -99.200 -91.000 PHE 169 1.000 28.837 233.540 193.949 -99.200 -91.000 HIS 171 0.900 21.606 228.879 201.067 -99.200 -91.000 HIS 176 0.900 21.516 223.847 179.410 -99.200 -91.000 PHE 185 1.000 25.485 230.652 178.118 -99.200 -91.000 TRP 194 1.040 29.347 234.952 179.611 -99.200 -91.000 TRP6 194 1.020 28.954 234.008 177.484 -99.200 -91.000 HIS 197 0.900 40.019 225.279 181.744 -99.200 -91.000 TRP 205 1.040 21.320 214.746 193.572 -99.200 -91.000 TRP6 205 1.020 22.466 214.565 195.640 -99.200 -91.000 PHE 209 1.000 24.969 220.138 186.108 -99.200 -91.000 PHE 210 1.000 29.335 212.651 183.567 -99.200 -91.000 PHE 219 1.000 27.430 209.906 188.180 -99.200 -91.000 TRP 230 1.040 26.783 210.640 223.716 -99.200 -91.000 TRP6 230 1.020 28.419 212.310 223.410 -99.200 -91.000 TYR 241 0.840 36.004 198.111 206.696 -99.200 -91.000 HIS 242 0.900 33.447 190.544 209.340 -99.200 -91.000 HIS 244 0.900 32.708 195.808 201.577 -99.200 -91.000 TYR 246 0.840 31.441 202.183 208.487 -99.200 -91.000 TRP 266 1.040 17.285 208.273 193.322 -99.200 -91.000 TRP6 266 1.020 19.001 209.702 192.565 -99.200 -91.000 PHE 297 1.000 17.378 208.901 214.135 -99.200 -91.000 TRP 298 1.040 24.841 209.772 209.634 -99.200 -91.000 TRP6 298 1.020 25.690 209.337 211.802 -99.200 -91.000 TYR 311 0.840 32.226 207.806 184.941 -99.200 -91.000 HIS 315 0.900 32.477 216.408 176.585 -99.200 -91.000 PHE 323 1.000 31.720 215.730 182.735 -99.200 -91.000 HIS 327 0.900 35.427 210.776 193.754 -99.200 -91.000 PHE 328 1.000 29.296 202.078 195.976 -99.200 -91.000 TRP 355 1.040 47.339 207.224 189.550 -99.200 -91.000 TRP6 355 1.020 48.645 208.663 190.892 -99.200 -91.000 HIS 357 0.900 43.396 203.491 180.423 -99.200 -91.000 PHE 359 1.000 40.812 207.194 189.147 -99.200 -91.000