============================================================================= 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 -0.744 208.284 180.027 -99.200 -91.000 TYR 5 0.840 1.648 208.053 187.130 -99.200 -91.000 TYR 21 0.840 -8.748 215.756 198.810 -99.200 -91.000 TYR 22 0.840 -9.363 220.323 196.382 -99.200 -91.000 PHE 33 1.000 6.826 212.264 189.094 -99.200 -91.000 HIS 53 0.900 -11.599 239.787 206.278 -99.200 -91.000 PHE 62 1.000 -5.635 240.287 192.054 -99.200 -91.000 PHE 63 1.000 -12.143 241.167 200.665 -99.200 -91.000 PHE 65 1.000 -8.610 232.231 194.003 -99.200 -91.000 HIS 68 0.900 -14.542 229.939 196.085 -99.200 -91.000 TYR 73 0.840 -7.891 226.363 204.767 -99.200 -91.000 TYR 81 0.840 -8.807 212.388 212.132 -99.200 -91.000 HIS 91 0.900 -6.604 229.292 218.519 -99.200 -91.000 PHE 96 1.000 -8.901 241.897 219.686 -99.200 -91.000 PHE 100 1.000 0.998 249.004 218.556 -99.200 -91.000 TRP 119 1.040 -12.552 250.724 216.418 -99.200 -91.000 TRP6 119 1.020 -10.302 250.465 215.728 -99.200 -91.000 TYR 120 0.840 -13.751 243.825 219.838 -99.200 -91.000 TYR 131 0.840 -1.118 239.336 230.928 -99.200 -91.000 PHE 137 1.000 -3.437 255.959 219.505 -99.200 -91.000 PHE 141 1.000 -12.902 239.081 216.912 -99.200 -91.000 HIS 147 0.900 -3.669 229.846 214.805 -99.200 -91.000 TYR 151 0.840 5.198 218.535 208.006 -99.200 -91.000 PHE 152 1.000 1.649 218.288 211.770 -99.200 -91.000 TYR 157 0.840 -5.572 219.994 200.698 -99.200 -91.000 PHE 169 1.000 6.137 207.934 191.963 -99.200 -91.000 HIS 171 0.900 13.378 211.491 199.677 -99.200 -91.000 HIS 176 0.900 12.875 219.218 178.750 -99.200 -91.000 PHE 185 1.000 9.654 213.352 176.674 -99.200 -91.000 TRP 194 1.040 5.156 209.291 176.726 -99.200 -91.000 TRP6 194 1.020 6.341 207.254 176.808 -99.200 -91.000 HIS 197 0.900 -4.812 218.149 180.845 -99.200 -91.000 TRP 205 1.040 13.693 226.622 194.598 -99.200 -91.000 TRP6 205 1.020 12.511 226.452 196.651 -99.200 -91.000 PHE 209 1.000 9.945 222.447 186.285 -99.200 -91.000 PHE 210 1.000 5.662 230.202 185.039 -99.200 -91.000 PHE 219 1.000 7.626 232.311 189.935 -99.200 -91.000 TRP 230 1.040 8.095 225.878 224.928 -99.200 -91.000 TRP6 230 1.020 6.459 224.256 224.389 -99.200 -91.000 TYR 241 0.840 -1.153 241.038 210.126 -99.200 -91.000 HIS 242 0.900 1.420 247.969 213.856 -99.200 -91.000 HIS 244 0.900 2.251 244.125 205.503 -99.200 -91.000 TYR 246 0.840 3.448 236.600 211.265 -99.200 -91.000 TRP 266 1.040 17.655 232.925 195.378 -99.200 -91.000 TRP6 266 1.020 15.929 231.644 194.406 -99.200 -91.000 PHE 297 1.000 16.104 231.778 217.684 -99.200 -91.000 TRP 298 1.040 10.036 228.966 211.154 -99.200 -91.000 TRP6 298 1.020 9.185 229.040 213.353 -99.200 -91.000 TYR 311 0.840 2.848 234.825 187.094 -99.200 -91.000 HIS 315 0.900 2.747 227.595 177.468 -99.200 -91.000 PHE 323 1.000 3.446 227.320 183.686 -99.200 -91.000 HIS 327 0.900 -0.417 230.441 195.241 -99.200 -91.000 PHE 328 1.000 5.667 238.727 198.887 -99.200 -91.000 TRP 355 1.040 -12.428 234.772 191.510 -99.200 -91.000 TRP6 355 1.020 -13.654 233.053 192.579 -99.200 -91.000 HIS 357 0.900 -8.111 239.878 183.146 -99.200 -91.000 PHE 359 1.000 -5.843 234.858 191.237 -99.200 -91.000