============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 11 1.040 20.439 22.890 -17.528 -99.200 -91.000 TRP6 11 1.020 21.080 21.330 -15.861 -99.200 -91.000 TYR 29 0.840 -2.532 44.208 -8.759 -99.200 -91.000 TYR 33 0.840 10.144 37.774 -14.962 -99.200 -91.000 HIS 37 0.900 3.950 32.602 -29.208 -99.200 -91.000 HIS 41 0.900 -0.057 27.048 -15.209 -99.200 -91.000 HIS 53 0.900 1.338 26.408 -25.098 -99.200 -91.000 TYR 109 0.840 7.258 41.000 -39.824 -99.200 -91.000 HIS 110 0.900 8.660 39.595 -35.617 -99.200 -91.000 TYR 137 0.840 12.825 38.795 -26.404 -99.200 -91.000 PHE 152 1.000 -2.648 53.102 -27.322 -99.200 -91.000 PHE 157 1.000 0.426 48.262 -37.373 -99.200 -91.000 TYR 167 0.840 16.592 43.761 -42.220 -99.200 -91.000 HIS 168 0.900 12.141 41.080 -40.460 -99.200 -91.000 PHE 170 1.000 17.878 41.600 -49.714 -99.200 -91.000 TYR 175 0.840 21.559 34.028 -45.712 -99.200 -91.000 TYR 176 0.840 17.315 32.610 -43.610 -99.200 -91.000 TYR 183 0.840 2.132 46.699 -45.903 -99.200 -91.000 PHE 217 1.000 -0.144 38.623 0.498 -99.200 -91.000 PHE 220 1.000 7.012 41.115 -10.135 -99.200 -91.000 HIS 232 0.900 25.301 36.255 -15.971 -99.200 -91.000 TYR 235 0.840 26.073 32.869 -26.723 -99.200 -91.000 TYR 237 0.840 24.856 23.970 -26.984 -99.200 -91.000 TYR 258 0.840 10.915 49.813 -4.692 -99.200 -91.000 TYR 261 0.840 10.636 33.386 -0.339 -99.200 -91.000 TYR 269 0.840 14.049 13.635 -11.541 -99.200 -91.000 PHE 278 1.000 21.832 16.615 -17.100 -99.200 -91.000 PHE 283 1.000 24.872 9.278 -21.372 -99.200 -91.000 PHE 289 1.000 13.350 3.810 -10.307 -99.200 -91.000 PHE 297 1.000 8.253 8.552 -20.977 -99.200 -91.000 TRP 309 1.040 22.854 10.152 -9.881 -99.200 -91.000 TRP6 309 1.020 21.245 8.919 -8.661 -99.200 -91.000 PHE 327 1.000 16.927 25.639 -3.657 -99.200 -91.000 TYR 347 0.840 30.357 20.770 -12.236 -99.200 -91.000 TRP 365 1.040 29.693 24.493 -19.276 -99.200 -91.000 TRP6 365 1.020 28.445 24.057 -17.324 -99.200 -91.000 TYR 372 0.840 27.733 11.889 -9.542 -99.200 -91.000 TRP 378 1.040 12.739 7.631 -0.428 -99.200 -91.000 TRP6 378 1.020 14.381 9.199 -1.055 -99.200 -91.000 PHE 383 1.000 0.859 10.698 -5.197 -99.200 -91.000 TYR 398 0.840 18.259 13.798 -2.227 -99.200 -91.000 PHE 429 1.000 2.381 36.120 -1.989 -99.200 -91.000