============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 20.165 6.996 17.242 -99.200 -91.000 TRP6 14 1.020 21.336 8.918 16.552 -99.200 -91.000 PHE 19 1.000 15.990 -4.968 32.320 -99.200 -91.000 TRP 37 1.040 5.535 10.779 21.726 -99.200 -91.000 TRP6 37 1.020 3.766 9.218 21.716 -99.200 -91.000 HIS 43 0.900 9.160 -8.735 16.484 -99.200 -91.000 TYR 47 0.840 4.922 -13.420 16.899 -99.200 -91.000 TRP 49 1.040 7.119 -17.035 19.389 -99.200 -91.000 TRP6 49 1.020 8.908 -15.542 18.984 -99.200 -91.000 PHE 53 1.000 6.300 -8.581 27.320 -99.200 -91.000 HIS 65 0.900 29.586 0.877 25.332 -99.200 -91.000 TYR 70 0.840 21.602 1.963 37.425 -99.200 -91.000 TYR 84 0.840 -0.512 5.580 22.144 -99.200 -91.000 HIS 86 0.900 -0.262 0.487 11.251 -99.200 -91.000 TYR 89 0.840 2.139 -6.651 14.985 -99.200 -91.000 TRP 91 1.040 -1.477 -10.343 15.754 -99.200 -91.000 TRP6 91 1.020 -2.468 -12.468 16.042 -99.200 -91.000 PHE 110 1.000 16.371 15.117 24.139 -99.200 -91.000 TYR 113 0.840 27.454 9.726 28.074 -99.200 -91.000 HIS 115 0.900 20.570 15.023 20.376 -99.200 -91.000 TYR 132 0.840 22.446 5.181 -2.237 -99.200 -91.000 TRP 139 1.040 22.990 -3.425 24.421 -99.200 -91.000 TRP6 139 1.020 21.316 -1.775 24.266 -99.200 -91.000 PHE 178 1.000 14.824 -0.994 5.051 -99.200 -91.000 TYR 182 0.840 28.230 -6.227 3.305 -99.200 -91.000 PHE 201 1.000 19.185 -0.043 7.318 -99.200 -91.000 PHE 207 1.000 21.212 14.604 -0.504 -99.200 -91.000 TRP 211 1.040 24.207 9.810 12.415 -99.200 -91.000 TRP6 211 1.020 24.964 7.819 11.396 -99.200 -91.000 TYR 212 0.840 17.036 12.516 8.231 -99.200 -91.000 TRP 219 1.040 10.356 -10.197 8.576 -99.200 -91.000 TRP6 219 1.020 10.886 -11.651 6.790 -99.200 -91.000 TYR 229 0.840 20.013 -11.007 0.986 -99.200 -91.000 PHE 231 1.000 13.153 -9.725 4.262 -99.200 -91.000 TYR 232 0.840 16.970 -4.342 8.879 -99.200 -91.000 HIS 234 0.900 9.955 2.218 3.340 -99.200 -91.000 PHE 236 1.000 7.969 8.774 3.559 -99.200 -91.000 TRP 241 1.040 -0.194 4.245 13.702 -99.200 -91.000 TRP6 241 1.020 1.700 3.629 14.966 -99.200 -91.000 PHE 249 1.000 -3.929 8.795 21.201 -99.200 -91.000