============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 20.765 52.444 13.990 -99.200 -91.000 TYR 14 0.840 8.422 53.891 19.163 -99.200 -91.000 TYR 22 0.840 7.084 72.620 6.119 -99.200 -91.000 HIS 23 0.900 9.479 65.493 9.613 -99.200 -91.000 PHE 24 1.000 5.097 70.702 12.165 -99.200 -91.000 TRP 34 1.040 -5.769 60.964 22.762 -99.200 -91.000 TRP6 34 1.020 -5.811 63.303 23.097 -99.200 -91.000 HIS 40 0.900 10.256 72.562 20.168 -99.200 -91.000 TYR 42 0.840 -0.673 75.487 18.405 -99.200 -91.000 PHE 64 1.000 0.027 60.570 4.134 -99.200 -91.000 HIS 73 0.900 2.202 71.025 31.319 -99.200 -91.000 TYR 76 0.840 6.450 75.722 25.303 -99.200 -91.000 TRP 121 1.040 11.558 60.446 8.432 -99.200 -91.000 TRP6 121 1.020 9.753 59.849 9.837 -99.200 -91.000 TYR 131 0.840 16.688 69.324 6.376 -99.200 -91.000 TYR 152 0.840 22.977 72.377 26.797 -99.200 -91.000 PHE 161 1.000 15.731 62.548 29.139 -99.200 -91.000 TYR 165 0.840 27.162 58.150 22.618 -99.200 -91.000 TRP 193 1.040 16.260 72.764 25.346 -99.200 -91.000 TRP6 193 1.020 18.296 73.688 26.132 -99.200 -91.000 TYR 206 0.840 16.991 64.190 23.763 -99.200 -91.000 TYR 212 0.840 5.850 67.082 31.850 -99.200 -91.000 TRP 215 1.040 -1.079 67.631 31.731 -99.200 -91.000 TRP6 215 1.020 -0.216 67.520 29.531 -99.200 -91.000