============================================================================= 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 -9.824 -1.455 18.050 -99.200 -91.000 TYR 14 0.840 1.248 -1.515 25.205 -99.200 -91.000 TYR 22 0.840 -4.782 18.586 33.502 -99.200 -91.000 HIS 23 0.900 -4.921 11.264 28.960 -99.200 -91.000 PHE 24 1.000 0.318 15.410 31.245 -99.200 -91.000 TRP 34 1.040 13.167 3.856 34.365 -99.200 -91.000 TRP6 34 1.020 13.834 6.110 34.154 -99.200 -91.000 HIS 40 0.900 3.905 16.329 22.176 -99.200 -91.000 TYR 42 0.840 9.072 18.801 31.868 -99.200 -91.000 PHE 64 1.000 -5.028 6.637 40.021 -99.200 -91.000 HIS 73 0.900 17.072 12.271 22.537 -99.200 -91.000 TYR 76 0.840 10.957 18.125 22.682 -99.200 -91.000 TRP 121 1.040 -7.890 6.761 28.134 -99.200 -91.000 TRP6 121 1.020 -5.843 5.856 28.872 -99.200 -91.000 TYR 131 0.840 -9.882 15.176 24.680 -99.200 -91.000 TYR 152 0.840 2.422 15.639 8.292 -99.200 -91.000 PHE 161 1.000 6.663 5.213 13.367 -99.200 -91.000 TYR 165 0.840 -5.561 3.335 8.196 -99.200 -91.000 TRP 193 1.040 5.256 15.795 14.403 -99.200 -91.000 TRP6 193 1.020 4.849 16.649 12.250 -99.200 -91.000 TYR 206 0.840 1.992 7.884 15.149 -99.200 -91.000 TYR 212 0.840 14.766 8.756 19.778 -99.200 -91.000 TRP 215 1.040 18.426 9.157 25.877 -99.200 -91.000 TRP6 215 1.020 16.077 9.359 26.102 -99.200 -91.000