============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 5 0.840 -3.366 27.330 26.854 -99.200 -91.000 TYR 7 0.840 6.629 30.901 25.999 -99.200 -91.000 HIS 36 0.900 6.779 11.407 17.728 -99.200 -91.000 TRP 54 1.040 32.407 8.463 26.534 -99.200 -91.000 TRP6 54 1.020 33.050 9.362 28.604 -99.200 -91.000 HIS 59 0.900 33.573 -1.289 33.803 -99.200 -91.000 PHE 62 1.000 39.593 4.449 32.791 -99.200 -91.000 HIS 64 0.900 40.474 -4.278 26.696 -99.200 -91.000 HIS 66 0.900 40.686 -6.597 37.058 -99.200 -91.000 TYR 69 0.840 46.343 1.077 37.464 -99.200 -91.000 PHE 71 1.000 42.702 -4.871 41.314 -99.200 -91.000 PHE 78 1.000 28.551 -4.675 26.412 -99.200 -91.000 TRP 80 1.040 23.459 -3.719 22.584 -99.200 -91.000 TRP6 80 1.020 24.976 -2.147 21.727 -99.200 -91.000 TYR 90 0.840 19.367 7.908 33.817 -99.200 -91.000 TYR 98 0.840 13.464 15.930 31.364 -99.200 -91.000 HIS 106 0.900 0.727 24.561 39.445 -99.200 -91.000 HIS 113 0.900 2.836 17.576 13.376 -99.200 -91.000 PHE 116 1.000 3.005 28.179 13.802 -99.200 -91.000 TYR 131 0.840 -4.857 23.502 22.010 -99.200 -91.000 HIS 135 0.900 4.559 37.063 24.082 -99.200 -91.000 HIS 148 0.900 17.268 12.905 -0.599 -99.200 -91.000 PHE 164 1.000 24.543 3.259 19.368 -99.200 -91.000 PHE 165 1.000 21.112 6.289 21.563 -99.200 -91.000 TYR 181 0.840 30.081 17.800 18.558 -99.200 -91.000 HIS 203 0.900 37.414 16.586 3.047 -99.200 -91.000 PHE 210 1.000 35.151 19.927 17.562 -99.200 -91.000 PHE 232 1.000 41.800 12.519 1.510 -99.200 -91.000 TRP 271 1.040 23.228 6.057 5.942 -99.200 -91.000 TRP6 271 1.020 24.891 6.225 4.254 -99.200 -91.000 HIS 296 0.900 18.914 24.560 9.570 -99.200 -91.000 PHE 302 1.000 17.320 41.167 21.545 -99.200 -91.000 TYR 311 0.840 8.551 35.260 20.625 -99.200 -91.000 HIS 335 0.900 14.490 35.204 33.512 -99.200 -91.000 PHE 338 1.000 5.878 34.917 28.844 -99.200 -91.000 TYR 340 0.840 6.545 42.328 31.020 -99.200 -91.000 TYR 348 0.840 23.118 31.516 20.070 -99.200 -91.000 PHE 356 1.000 30.414 13.530 26.797 -99.200 -91.000 HIS 358 0.900 35.751 6.016 24.510 -99.200 -91.000 HIS 373 0.900 39.436 36.120 8.833 -99.200 -91.000 TYR 375 0.840 41.441 38.662 18.572 -99.200 -91.000 TYR 383 0.840 51.800 31.020 25.937 -99.200 -91.000 PHE 387 1.000 49.585 15.896 30.233 -99.200 -91.000 TYR 391 0.840 44.483 4.682 34.100 -99.200 -91.000 HIS 392 0.900 46.872 5.506 29.852 -99.200 -91.000 HIS 418 0.900 40.711 25.269 20.776 -99.200 -91.000 PHE 431 1.000 41.064 25.313 33.146 -99.200 -91.000 PHE 444 1.000 43.454 30.134 31.832 -99.200 -91.000 HIS 451 0.900 51.974 17.298 41.386 -99.200 -91.000