============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 14 0.840 11.620 9.685 14.191 -99.200 -91.000 HIS 21 0.900 23.000 24.478 16.794 -99.200 -91.000 TYR 30 0.840 17.908 20.080 21.640 -99.200 -91.000 TYR 33 0.840 6.009 12.503 15.260 -99.200 -91.000 HIS 44 0.900 -3.266 17.848 24.965 -99.200 -91.000 PHE 47 1.000 5.293 16.591 31.281 -99.200 -91.000 TYR 49 0.840 8.829 20.128 27.370 -99.200 -91.000 TYR 59 0.840 17.177 4.605 18.689 -99.200 -91.000 TRP 69 1.040 18.361 -2.559 31.327 -99.200 -91.000 TRP6 69 1.020 17.274 -3.242 29.342 -99.200 -91.000 TYR 78 0.840 21.066 1.892 35.330 -99.200 -91.000 PHE 100 1.000 8.598 0.957 25.701 -99.200 -91.000 PHE 104 1.000 5.847 8.185 19.438 -99.200 -91.000 TYR 133 0.840 21.565 -9.136 3.165 -99.200 -91.000 PHE 144 1.000 12.364 -9.280 12.301 -99.200 -91.000 PHE 145 1.000 16.867 -8.758 9.711 -99.200 -91.000 PHE 153 1.000 12.088 -12.057 7.946 -99.200 -91.000 TRP 157 1.040 21.759 -13.410 13.431 -99.200 -91.000 TRP6 157 1.020 22.577 -11.250 13.941 -99.200 -91.000 TYR 159 0.840 25.509 -11.151 4.090 -99.200 -91.000 PHE 168 1.000 25.484 -6.288 11.836 -99.200 -91.000 TYR 186 0.840 24.993 -1.487 3.354 -99.200 -91.000 TYR 188 0.840 20.616 1.126 7.216 -99.200 -91.000 TYR 197 0.840 13.701 12.736 7.106 -99.200 -91.000 TYR 218 0.840 9.439 4.490 16.106 -99.200 -91.000 TRP 252 1.040 8.050 17.686 12.287 -99.200 -91.000 TRP6 252 1.020 9.788 19.279 12.097 -99.200 -91.000 TRP 253 1.040 8.244 10.608 7.899 -99.200 -91.000 TRP6 253 1.020 8.340 11.111 10.206 -99.200 -91.000 TYR 254 0.840 4.954 11.332 3.896 -99.200 -91.000