============================================================================= 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 37.002 30.740 18.306 -99.200 -91.000 TYR 14 0.840 25.769 30.766 25.399 -99.200 -91.000 TYR 22 0.840 31.951 10.250 33.991 -99.200 -91.000 HIS 23 0.900 32.148 17.679 29.405 -99.200 -91.000 PHE 24 1.000 26.847 13.464 31.626 -99.200 -91.000 TRP 34 1.040 13.636 25.133 34.816 -99.200 -91.000 TRP6 34 1.020 12.944 22.887 34.577 -99.200 -91.000 HIS 40 0.900 23.206 12.346 22.287 -99.200 -91.000 TYR 42 0.840 17.821 9.803 32.099 -99.200 -91.000 PHE 64 1.000 32.139 22.565 40.530 -99.200 -91.000 HIS 73 0.900 9.810 16.437 22.769 -99.200 -91.000 TYR 76 0.840 16.016 10.550 22.885 -99.200 -91.000 TRP 121 1.040 35.068 22.280 28.522 -99.200 -91.000 TRP6 121 1.020 33.017 23.225 29.206 -99.200 -91.000 TYR 131 0.840 37.555 13.325 24.537 -99.200 -91.000 TYR 152 0.840 24.679 13.237 8.133 -99.200 -91.000 PHE 161 1.000 20.302 23.766 13.337 -99.200 -91.000 TYR 165 0.840 32.759 25.820 8.193 -99.200 -91.000 TRP 193 1.040 21.998 12.989 14.415 -99.200 -91.000 TRP6 193 1.020 22.388 12.108 12.255 -99.200 -91.000 TYR 206 0.840 25.072 21.157 15.160 -99.200 -91.000 TYR 212 0.840 12.077 20.073 19.910 -99.200 -91.000 TRP 215 1.040 8.349 19.681 26.118 -99.200 -91.000 TRP6 215 1.020 10.689 19.499 26.350 -99.200 -91.000