============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 5 0.840 21.501 52.278 19.462 -99.200 -91.000 TYR 11 0.840 20.371 35.509 24.484 -99.200 -91.000 HIS 21 0.900 26.947 21.114 11.200 -99.200 -91.000 PHE 33 1.000 29.373 26.642 -2.730 -99.200 -91.000 TYR 37 0.840 20.197 28.639 -10.042 -99.200 -91.000 PHE 84 1.000 8.734 23.082 -1.336 -99.200 -91.000 TYR 85 0.840 13.708 22.552 -3.516 -99.200 -91.000 PHE 88 1.000 13.013 23.463 8.588 -99.200 -91.000 PHE 119 1.000 7.959 36.233 22.793 -99.200 -91.000 TYR 120 0.840 10.867 30.765 18.620 -99.200 -91.000 PHE 137 1.000 30.514 44.277 -8.322 -99.200 -91.000 PHE 158 1.000 41.379 56.917 16.527 -99.200 -91.000 HIS 173 0.900 44.693 34.507 2.348 -99.200 -91.000 PHE 185 1.000 38.160 26.067 8.611 -99.200 -91.000 PHE 231 1.000 38.121 51.050 -0.355 -99.200 -91.000 PHE 271 1.000 23.571 33.992 21.672 -99.200 -91.000 PHE 274 1.000 23.346 40.547 19.666 -99.200 -91.000 PHE 309 1.000 38.428 37.869 22.353 -99.200 -91.000 PHE 315 1.000 36.491 46.747 3.886 -99.200 -91.000 PHE 319 1.000 41.547 40.823 13.002 -99.200 -91.000 TYR 321 0.840 40.015 51.527 16.367 -99.200 -91.000 HIS 344 0.900 32.071 40.524 4.738 -99.200 -91.000 HIS 359 0.900 31.261 22.340 15.104 -99.200 -91.000 PHE 370 1.000 33.114 31.969 30.311 -99.200 -91.000 PHE 387 1.000 27.668 32.203 20.796 -99.200 -91.000