============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 5 1.000 27.528 5.726 16.513 -99.200 -91.000 HIS 32 0.900 24.093 8.902 15.253 -99.200 -91.000 HIS 38 0.900 14.431 26.686 19.800 -99.200 -91.000 PHE 48 1.000 23.803 24.860 17.680 -99.200 -91.000 PHE 64 1.000 18.924 21.521 6.890 -99.200 -91.000 HIS 70 0.900 27.067 22.911 17.839 -99.200 -91.000 PHE 92 1.000 -6.196 19.995 2.328 -99.200 -91.000 PHE 104 1.000 10.404 21.176 -1.887 -99.200 -91.000 PHE 119 1.000 25.324 8.571 5.785 -99.200 -91.000 PHE 124 1.000 11.153 12.975 4.622 -99.200 -91.000 TRP 132 1.040 -6.772 1.813 9.695 -99.200 -91.000 TRP6 132 1.020 -8.360 2.570 11.277 -99.200 -91.000 TYR 137 0.840 -3.186 17.316 11.541 -99.200 -91.000 TYR 169 0.840 -5.197 6.451 18.033 -99.200 -91.000 PHE 189 1.000 -11.422 1.063 15.818 -99.200 -91.000 PHE 207 1.000 16.825 -0.801 11.254 -99.200 -91.000 TYR 215 0.840 19.967 -3.233 -1.091 -99.200 -91.000 HIS 231 0.900 -3.272 -3.193 -1.367 -99.200 -91.000