============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 7 0.840 15.960 44.863 30.730 -99.200 -91.000 TYR 16 0.840 -1.696 44.138 34.190 -99.200 -91.000 PHE 22 1.000 -7.062 45.165 23.321 -99.200 -91.000 TYR 37 0.840 -19.512 30.523 22.816 -99.200 -91.000 TYR 40 0.840 -19.125 25.071 14.651 -99.200 -91.000 HIS 47 0.900 -22.917 17.486 20.850 -99.200 -91.000 HIS 50 0.900 -18.244 16.652 26.711 -99.200 -91.000 HIS 54 0.900 -15.388 22.445 28.074 -99.200 -91.000 HIS 56 0.900 -12.131 13.517 29.247 -99.200 -91.000 TRP 57 1.040 -7.202 18.277 32.701 -99.200 -91.000 TRP6 57 1.020 -5.809 19.351 31.114 -99.200 -91.000 PHE 58 1.000 -5.424 11.474 29.599 -99.200 -91.000 PHE 81 1.000 20.163 23.137 42.904 -99.200 -91.000 TYR 85 0.840 11.422 31.367 40.545 -99.200 -91.000 TYR 87 0.840 11.905 36.982 39.553 -99.200 -91.000