============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 2 1.000 36.334 12.271 13.770 -99.200 -91.000 PHE 14 1.000 15.817 25.383 -10.783 -99.200 -91.000 TYR 25 0.840 10.671 11.207 -18.329 -99.200 -91.000 TYR 44 0.840 0.983 -9.338 -5.535 -99.200 -91.000 TYR 54 0.840 19.074 -9.360 8.045 -99.200 -91.000 PHE 63 1.000 17.053 -6.838 -9.231 -99.200 -91.000 PHE 72 1.000 24.345 -11.251 -20.049 -99.200 -91.000 PHE 102 1.000 35.125 -10.376 -8.665 -99.200 -91.000 TRP 113 1.040 42.704 1.834 -19.711 -99.200 -91.000 TRP6 113 1.020 43.961 3.587 -20.696 -99.200 -91.000 TRP 119 1.040 27.533 9.508 -12.989 -99.200 -91.000 TRP6 119 1.020 27.777 7.646 -11.555 -99.200 -91.000 HIS 122 0.900 31.432 5.715 -14.870 -99.200 -91.000 PHE 126 1.000 35.288 2.001 -11.887 -99.200 -91.000 TYR 136 0.840 37.187 4.749 -23.368 -99.200 -91.000 TYR 138 0.840 32.313 7.839 -26.247 -99.200 -91.000 TYR 139 0.840 31.580 15.926 -27.905 -99.200 -91.000 HIS 144 0.900 28.426 19.486 -32.608 -99.200 -91.000 PHE 148 1.000 35.205 3.043 -33.491 -99.200 -91.000 PHE 166 1.000 34.115 -0.860 -23.962 -99.200 -91.000 HIS 167 0.900 29.144 5.935 -20.034 -99.200 -91.000 HIS 171 0.900 29.570 8.706 -23.233 -99.200 -91.000 TRP 183 1.040 27.862 -0.876 -29.105 -99.200 -91.000 TRP6 183 1.020 29.046 -0.453 -27.098 -99.200 -91.000 TRP 195 1.040 41.845 -3.640 -23.798 -99.200 -91.000 TRP6 195 1.020 40.749 -2.521 -25.565 -99.200 -91.000 PHE 199 1.000 29.499 -3.496 -22.634 -99.200 -91.000 PHE 201 1.000 22.263 -1.979 -20.907 -99.200 -91.000 TYR 203 0.840 21.222 6.843 -18.194 -99.200 -91.000 PHE 206 1.000 15.091 6.242 -19.887 -99.200 -91.000 PHE 220 1.000 32.790 -5.069 -26.008 -99.200 -91.000 HIS 224 0.900 35.170 -9.594 -24.692 -99.200 -91.000 TYR 233 0.840 16.684 -3.228 -13.248 -99.200 -91.000 PHE 236 1.000 11.504 -1.555 -13.797 -99.200 -91.000 TYR 239 0.840 14.904 8.675 -11.039 -99.200 -91.000 PHE 260 1.000 27.289 -13.893 -7.534 -99.200 -91.000 TYR 271 0.840 25.346 -3.808 -0.364 -99.200 -91.000 HIS 277 0.900 8.953 -0.791 -1.567 -99.200 -91.000 TRP 295 1.040 9.140 -0.851 -16.688 -99.200 -91.000 TRP6 295 1.020 10.488 -2.375 -17.911 -99.200 -91.000 PHE 313 1.000 17.943 22.377 -27.293 -99.200 -91.000 PHE 326 1.000 22.457 24.244 -31.527 -99.200 -91.000 PHE 328 1.000 24.818 19.191 -31.590 -99.200 -91.000 PHE 336 1.000 22.017 13.158 -18.324 -99.200 -91.000 PHE 338 1.000 29.619 17.162 -23.438 -99.200 -91.000 PHE 353 1.000 19.582 35.363 -21.277 -99.200 -91.000 TYR 356 0.840 20.180 27.732 -12.251 -99.200 -91.000