============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 9 1.000 14.253 20.593 -0.357 -99.200 -91.000 TYR 10 0.840 7.595 26.432 5.893 -99.200 -91.000 TYR 40 0.840 8.269 22.196 13.374 -99.200 -91.000 TRP 41 1.040 15.683 18.414 14.165 -99.200 -91.000 TRP6 41 1.020 17.010 16.556 14.707 -99.200 -91.000 PHE 46 1.000 6.689 19.673 19.478 -99.200 -91.000 TYR 58 0.840 7.243 23.137 9.725 -99.200 -91.000 TYR 74 0.840 16.775 12.903 18.443 -99.200 -91.000 HIS 78 0.900 14.680 2.378 26.096 -99.200 -91.000 TYR 84 0.840 27.395 14.385 25.852 -99.200 -91.000 PHE 89 1.000 6.427 10.413 22.694 -99.200 -91.000 TYR 95 0.840 8.460 6.141 17.870 -99.200 -91.000 TRP 98 1.040 5.128 11.756 18.857 -99.200 -91.000 TRP6 98 1.020 7.157 11.588 17.677 -99.200 -91.000 PHE 134 1.000 17.143 -3.255 14.537 -99.200 -91.000 TYR 139 0.840 2.759 1.651 14.316 -99.200 -91.000 TYR 153 0.840 14.097 10.780 1.656 -99.200 -91.000 HIS 158 0.900 28.845 8.756 10.984 -99.200 -91.000 TRP 161 1.040 27.241 4.762 14.311 -99.200 -91.000 TRP6 161 1.020 25.713 6.468 14.920 -99.200 -91.000 PHE 182 1.000 20.224 5.151 2.123 -99.200 -91.000 PHE 189 1.000 30.025 18.179 12.804 -99.200 -91.000 TYR 190 0.840 32.278 11.404 9.297 -99.200 -91.000 TYR 198 0.840 27.628 4.413 4.875 -99.200 -91.000 HIS 210 0.900 15.807 6.830 -5.619 -99.200 -91.000 TYR 211 0.840 22.237 8.654 -1.336 -99.200 -91.000 TRP 230 1.040 30.329 12.144 18.050 -99.200 -91.000 TRP6 230 1.020 28.920 12.636 19.877 -99.200 -91.000 HIS 250 0.900 20.650 4.859 -7.214 -99.200 -91.000 TYR 254 0.840 24.248 17.504 -2.230 -99.200 -91.000 TRP 256 1.040 22.058 23.258 5.192 -99.200 -91.000 TRP6 256 1.020 22.538 25.491 5.827 -99.200 -91.000 PHE 277 1.000 20.658 29.931 16.818 -99.200 -91.000 TYR 281 0.840 28.412 26.219 19.929 -99.200 -91.000 HIS 287 0.900 34.926 34.257 10.209 -99.200 -91.000