============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 8 1.000 -2.844 9.234 17.807 -99.200 -91.000 TYR 24 0.840 3.244 6.230 33.442 -99.200 -91.000 TRP 39 1.040 8.154 6.212 18.560 -99.200 -91.000 TRP6 39 1.020 6.843 8.014 19.336 -99.200 -91.000 PHE 44 1.000 12.626 -5.250 3.151 -99.200 -91.000 TRP 62 1.040 22.724 10.491 14.486 -99.200 -91.000 TRP6 62 1.020 24.569 9.013 14.518 -99.200 -91.000 HIS 68 0.900 19.144 -8.935 19.410 -99.200 -91.000 TYR 72 0.840 23.179 -13.980 18.845 -99.200 -91.000 TRP 74 1.040 21.229 -17.540 16.238 -99.200 -91.000 TRP6 74 1.020 19.258 -16.277 16.586 -99.200 -91.000 PHE 78 1.000 22.232 -8.934 8.551 -99.200 -91.000 HIS 90 0.900 -1.099 0.596 10.023 -99.200 -91.000 TYR 95 0.840 7.430 1.925 -1.993 -99.200 -91.000 TYR 109 0.840 28.931 5.372 14.245 -99.200 -91.000 HIS 111 0.900 28.717 -0.146 24.886 -99.200 -91.000 TYR 114 0.840 26.230 -7.365 21.035 -99.200 -91.000 TRP 116 1.040 29.423 -11.239 20.468 -99.200 -91.000 TRP6 116 1.020 30.307 -13.427 20.211 -99.200 -91.000 PHE 135 1.000 11.827 14.853 11.945 -99.200 -91.000 TYR 138 0.840 0.954 9.380 7.633 -99.200 -91.000 HIS 140 0.900 7.589 14.662 15.767 -99.200 -91.000 TYR 157 0.840 5.380 4.337 37.959 -99.200 -91.000 TRP 164 1.040 5.370 -3.927 11.103 -99.200 -91.000 TRP6 164 1.020 6.989 -2.201 11.245 -99.200 -91.000 PHE 201 1.000 13.356 -1.729 30.881 -99.200 -91.000 TYR 205 0.840 0.143 -7.332 32.016 -99.200 -91.000 PHE 224 1.000 8.983 -0.829 28.268 -99.200 -91.000 PHE 230 1.000 6.538 13.899 36.158 -99.200 -91.000 TRP 234 1.040 3.933 9.215 23.437 -99.200 -91.000 TRP6 234 1.020 3.148 7.202 24.404 -99.200 -91.000 TYR 235 0.840 10.816 11.955 27.765 -99.200 -91.000 TRP 242 1.040 18.210 -10.966 27.122 -99.200 -91.000 TRP6 242 1.020 17.747 -12.590 28.788 -99.200 -91.000 TYR 252 0.840 8.317 -11.898 34.524 -99.200 -91.000 PHE 254 1.000 15.240 -10.491 31.608 -99.200 -91.000 TYR 255 0.840 11.393 -4.990 26.897 -99.200 -91.000 HIS 257 0.900 18.177 1.580 32.670 -99.200 -91.000 PHE 259 1.000 19.871 8.270 32.703 -99.200 -91.000 TRP 264 1.040 28.488 3.825 22.827 -99.200 -91.000 TRP6 264 1.020 26.754 3.138 21.374 -99.200 -91.000 PHE 272 1.000 32.123 8.493 15.570 -99.200 -91.000