============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 5 0.840 117.861 51.423 19.682 -99.200 -91.000 TYR 7 0.840 116.438 60.919 20.058 -99.200 -91.000 PHE 18 1.000 98.599 52.122 9.991 -99.200 -91.000 PHE 38 1.000 109.112 28.255 -25.502 -99.200 -91.000 TRP 70 1.040 97.468 33.404 -21.673 -99.200 -91.000 TRP6 70 1.020 98.509 32.660 -23.648 -99.200 -91.000 PHE 81 1.000 110.574 33.916 -27.380 -99.200 -91.000 TYR 97 0.840 114.400 35.540 -45.821 -99.200 -91.000 PHE 114 1.000 92.296 37.104 -28.527 -99.200 -91.000 PHE 128 1.000 113.155 31.058 -37.810 -99.200 -91.000 HIS 131 0.900 124.424 27.385 -37.672 -99.200 -91.000 TYR 142 0.840 133.114 35.671 -35.595 -99.200 -91.000 HIS 159 0.900 109.310 38.590 -37.089 -99.200 -91.000 HIS 189 0.900 106.290 48.010 -41.979 -99.200 -91.000 TYR 197 0.840 115.528 39.423 -26.323 -99.200 -91.000 TYR 201 0.840 125.159 39.767 -18.721 -99.200 -91.000 TYR 205 0.840 121.031 31.116 -13.661 -99.200 -91.000 TYR 206 0.840 120.415 32.333 -22.095 -99.200 -91.000 PHE 209 1.000 114.305 29.671 -26.184 -99.200 -91.000 TYR 218 0.840 126.279 34.581 -30.780 -99.200 -91.000 HIS 230 0.900 130.884 51.592 -22.293 -99.200 -91.000 TYR 251 0.840 123.245 37.783 -15.620 -99.200 -91.000 PHE 262 1.000 122.301 54.033 -20.660 -99.200 -91.000 PHE 267 1.000 109.793 46.736 -21.285 -99.200 -91.000 TYR 269 0.840 112.664 35.760 -21.961 -99.200 -91.000 TYR 275 0.840 107.981 27.902 -15.431 -99.200 -91.000 HIS 278 0.900 112.355 31.181 -8.960 -99.200 -91.000 TRP 286 1.040 112.552 20.518 -1.989 -99.200 -91.000 TRP6 286 1.020 114.245 20.200 -3.597 -99.200 -91.000 PHE 299 1.000 112.816 39.605 -12.646 -99.200 -91.000 TYR 310 0.840 109.211 31.078 -20.447 -99.200 -91.000 PHE 311 1.000 106.895 30.954 -12.197 -99.200 -91.000