============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 18.598 8.496 -37.019 -99.200 -91.000 HIS 7 0.900 22.500 4.806 -46.740 -99.200 -91.000 PHE 9 1.000 20.965 4.881 -50.906 -99.200 -91.000 PHE 14 1.000 14.768 7.589 -41.425 -99.200 -91.000 PHE 23 1.000 25.692 12.960 -30.213 -99.200 -91.000 PHE 35 1.000 37.953 16.634 -17.308 -99.200 -91.000 PHE 49 1.000 48.836 22.528 -11.981 -99.200 -91.000 PHE 64 1.000 45.670 17.177 -28.920 -99.200 -91.000 HIS 73 0.900 48.323 0.379 -31.257 -99.200 -91.000 HIS 102 0.900 43.508 12.424 -17.314 -99.200 -91.000 PHE 103 1.000 47.632 15.876 -9.286 -99.200 -91.000 HIS 132 0.900 10.493 27.436 -36.565 -99.200 -91.000 HIS 146 0.900 -11.643 28.389 -39.649 -99.200 -91.000 TYR 152 0.840 -12.398 8.865 -38.529 -99.200 -91.000 TRP 170 1.040 -1.720 16.315 -33.640 -99.200 -91.000 TRP6 170 1.020 -2.552 17.299 -35.623 -99.200 -91.000 HIS 177 0.900 6.787 16.014 -24.578 -99.200 -91.000 PHE 184 1.000 18.463 16.477 -17.966 -99.200 -91.000 PHE 189 1.000 22.187 18.888 -20.602 -99.200 -91.000 PHE 193 1.000 37.990 16.692 -10.836 -99.200 -91.000 TRP 226 1.040 27.795 12.647 -12.736 -99.200 -91.000 TRP6 226 1.020 27.610 12.066 -15.022 -99.200 -91.000 HIS 227 0.900 33.514 8.405 -11.963 -99.200 -91.000 PHE 236 1.000 19.434 14.621 -23.106 -99.200 -91.000 PHE 250 1.000 2.093 16.787 -36.936 -99.200 -91.000 PHE 281 1.000 16.489 4.303 -33.248 -99.200 -91.000 HIS 290 0.900 14.776 3.728 -17.739 -99.200 -91.000 TRP 304 1.040 30.816 4.964 -19.293 -99.200 -91.000 TRP6 304 1.020 33.175 4.955 -19.291 -99.200 -91.000 TRP 308 1.040 30.747 4.735 -23.959 -99.200 -91.000 TRP6 308 1.020 32.895 3.746 -24.134 -99.200 -91.000