============================================================================= 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. TYR 13 0.840 -47.131 -30.242 41.573 -99.200 -91.000 HIS 20 0.900 -33.131 -31.672 54.081 -99.200 -91.000 TYR 34 0.840 -51.528 -39.831 39.705 -99.200 -91.000 PHE 41 1.000 -28.088 -30.838 42.538 -99.200 -91.000 TYR 55 0.840 -34.184 -26.806 27.902 -99.200 -91.000 TRP 72 1.040 -32.372 -43.832 31.837 -99.200 -91.000 TRP6 72 1.020 -30.130 -44.293 31.200 -99.200 -91.000 TYR 80 0.840 -22.609 -33.907 21.627 -99.200 -91.000 TRP 81 1.040 -20.985 -31.411 25.769 -99.200 -91.000 TRP6 81 1.020 -21.579 -29.746 24.154 -99.200 -91.000 TRP 99 1.040 -38.684 -48.409 35.771 -99.200 -91.000 TRP6 99 1.020 -38.936 -50.691 35.196 -99.200 -91.000 TYR 111 0.840 -42.106 -56.972 46.335 -99.200 -91.000 PHE 114 1.000 -37.737 -53.042 40.177 -99.200 -91.000 TYR 125 0.840 -27.193 -46.265 57.289 -99.200 -91.000 HIS 127 0.900 -29.484 -39.043 61.592 -99.200 -91.000 TYR 137 0.840 -21.538 -43.024 75.528 -99.200 -91.000 TYR 148 0.840 -33.584 -47.485 63.198 -99.200 -91.000 HIS 150 0.900 -27.269 -53.205 60.652 -99.200 -91.000 PHE 157 1.000 -23.008 -30.911 65.842 -99.200 -91.000 TYR 161 0.840 -12.096 -21.469 58.467 -99.200 -91.000 PHE 162 1.000 -12.613 -30.437 57.996 -99.200 -91.000 TYR 167 0.840 -13.319 -36.725 60.735 -99.200 -91.000 PHE 175 1.000 -15.720 -46.281 64.402 -99.200 -91.000 TYR 182 0.840 -23.815 -48.061 73.825 -99.200 -91.000 TYR 184 0.840 -16.936 -55.718 68.964 -99.200 -91.000 PHE 186 1.000 -24.442 -49.673 68.959 -99.200 -91.000 HIS 187 0.900 -22.735 -54.912 62.244 -99.200 -91.000 HIS 190 0.900 -17.245 -41.323 61.280 -99.200 -91.000 HIS 193 0.900 -20.153 -35.102 53.714 -99.200 -91.000 PHE 197 1.000 -5.530 -32.470 52.271 -99.200 -91.000 PHE 204 1.000 -11.361 -42.638 60.153 -99.200 -91.000 TYR 211 0.840 -11.328 -49.168 68.207 -99.200 -91.000 TYR 214 0.840 -23.179 -52.872 57.802 -99.200 -91.000 PHE 215 1.000 -21.811 -48.194 55.034 -99.200 -91.000 TRP 227 1.040 -4.348 -41.282 46.197 -99.200 -91.000 TRP6 227 1.020 -2.141 -41.234 47.153 -99.200 -91.000 PHE 245 1.000 -18.773 -42.939 42.632 -99.200 -91.000 TRP 251 1.040 -20.750 -47.220 37.908 -99.200 -91.000 TRP6 251 1.020 -22.258 -45.369 37.730 -99.200 -91.000 PHE 262 1.000 -21.251 -52.775 52.807 -99.200 -91.000 HIS 266 0.900 -29.729 -39.178 46.134 -99.200 -91.000 PHE 286 1.000 -16.717 -57.283 38.005 -99.200 -91.000 TRP 292 1.040 -30.015 -48.722 45.857 -99.200 -91.000 TRP6 292 1.020 -28.698 -48.654 43.861 -99.200 -91.000 HIS 293 0.900 -26.927 -39.834 49.870 -99.200 -91.000 HIS 308 0.900 -41.649 -51.004 45.533 -99.200 -91.000 HIS 314 0.900 -28.644 -63.194 46.604 -99.200 -91.000 PHE 332 1.000 -44.042 -36.165 49.171 -99.200 -91.000 PHE 342 1.000 -34.843 -56.644 59.760 -99.200 -91.000 PHE 343 1.000 -37.756 -48.343 55.653 -99.200 -91.000 TYR 344 0.840 -41.135 -56.350 57.976 -99.200 -91.000 TYR 363 0.840 -46.928 -27.600 53.649 -99.200 -91.000 TYR 367 0.840 -32.991 -19.096 45.203 -99.200 -91.000 HIS 370 0.900 -26.556 -15.391 50.257 -99.200 -91.000 TRP 372 1.040 -27.772 -24.697 49.111 -99.200 -91.000 TRP6 372 1.020 -28.332 -26.525 50.561 -99.200 -91.000 HIS 387 0.900 -24.902 -29.423 54.986 -99.200 -91.000 HIS 388 0.900 -24.319 -20.515 57.047 -99.200 -91.000