============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 3 1.000 14.249 33.724 31.293 -99.200 -91.000 PHE 8 1.000 13.182 31.600 26.554 -99.200 -91.000 TRP 11 1.040 6.708 29.286 19.576 -99.200 -91.000 TRP6 11 1.020 8.300 28.106 20.876 -99.200 -91.000 PHE 12 1.000 9.628 28.342 26.404 -99.200 -91.000 HIS 13 0.900 1.673 31.473 26.146 -99.200 -91.000 HIS 19 0.900 -8.745 24.716 33.610 -99.200 -91.000 PHE 32 1.000 -2.934 29.486 15.846 -99.200 -91.000 PHE 33 1.000 3.912 25.804 18.863 -99.200 -91.000 PHE 45 1.000 10.666 24.391 29.979 -99.200 -91.000 HIS 51 0.900 -3.841 17.077 18.971 -99.200 -91.000 HIS 57 0.900 -2.272 19.395 27.729 -99.200 -91.000 PHE 58 1.000 1.939 16.061 21.372 -99.200 -91.000 TYR 68 0.840 16.185 20.697 24.547 -99.200 -91.000 PHE 69 1.000 13.780 11.675 23.471 -99.200 -91.000 TRP 71 1.040 5.705 11.818 18.754 -99.200 -91.000 TRP6 71 1.020 4.289 10.320 19.924 -99.200 -91.000 PHE 75 1.000 13.719 17.512 16.750 -99.200 -91.000 TYR 84 0.840 11.026 16.057 12.613 -99.200 -91.000 TYR 85 0.840 7.526 16.772 16.003 -99.200 -91.000 PHE 97 1.000 1.770 18.381 8.937 -99.200 -91.000