============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 15 1.000 17.055 7.174 7.160 -99.200 -91.000 TYR 25 0.840 14.064 8.422 11.326 -99.200 -91.000 PHE 27 1.000 7.326 9.208 3.310 -99.200 -91.000 TYR 47 0.840 13.312 6.817 2.445 -99.200 -91.000 PHE 51 1.000 11.144 21.363 -3.885 -99.200 -91.000 TYR 59 0.840 1.271 16.970 -3.092 -99.200 -91.000 PHE 71 1.000 19.658 32.488 -0.206 -99.200 -91.000 PHE 72 1.000 29.060 28.399 4.076 -99.200 -91.000 PHE 86 1.000 6.174 22.089 -3.832 -99.200 -91.000 TYR 90 0.840 -0.578 24.540 -0.086 -99.200 -91.000 TYR 95 0.840 -1.326 23.115 8.404 -99.200 -91.000 TYR 96 0.840 9.088 26.948 9.727 -99.200 -91.000 PHE 98 1.000 10.741 27.476 16.339 -99.200 -91.000 PHE 105 1.000 8.103 31.569 6.546 -99.200 -91.000 TRP 109 1.040 11.988 39.914 -2.519 -99.200 -91.000 TRP6 109 1.020 13.130 39.560 -4.563 -99.200 -91.000 TRP 117 1.040 23.068 35.128 -5.952 -99.200 -91.000 TRP6 117 1.020 21.117 34.330 -4.876 -99.200 -91.000 TYR 119 0.840 21.144 38.266 -13.230 -99.200 -91.000 TYR 121 0.840 16.343 32.676 -8.015 -99.200 -91.000 HIS 148 0.900 8.612 31.497 14.240 -99.200 -91.000 PHE 157 1.000 3.482 31.750 16.712 -99.200 -91.000 TYR 159 0.840 3.950 20.713 23.407 -99.200 -91.000 PHE 160 1.000 2.466 16.278 17.746 -99.200 -91.000 TYR 165 0.840 11.599 12.703 14.246 -99.200 -91.000 HIS 168 0.900 4.832 7.809 19.533 -99.200 -91.000 PHE 172 1.000 11.584 2.414 19.853 -99.200 -91.000 TYR 186 0.840 25.938 15.650 23.270 -99.200 -91.000 PHE 190 1.000 30.941 25.040 19.094 -99.200 -91.000 PHE 202 1.000 26.980 18.532 32.735 -99.200 -91.000 PHE 204 1.000 35.835 19.363 25.542 -99.200 -91.000 PHE 212 1.000 30.659 16.250 20.963 -99.200 -91.000 PHE 213 1.000 27.258 9.449 18.392 -99.200 -91.000 PHE 221 1.000 33.611 21.572 21.685 -99.200 -91.000 TYR 226 0.840 31.747 28.949 28.011 -99.200 -91.000 TRP 228 1.040 38.764 22.819 25.819 -99.200 -91.000 TRP6 228 1.020 40.203 21.475 24.506 -99.200 -91.000 PHE 234 1.000 35.515 16.358 19.697 -99.200 -91.000 TYR 261 0.840 16.754 23.970 21.801 -99.200 -91.000 PHE 265 1.000 12.062 23.534 21.267 -99.200 -91.000 TRP 271 1.040 11.476 11.260 22.779 -99.200 -91.000 TRP6 271 1.020 10.313 10.530 24.709 -99.200 -91.000 PHE 286 1.000 16.504 19.243 27.864 -99.200 -91.000 HIS 290 0.900 14.661 15.732 39.075 -99.200 -91.000 PHE 298 1.000 17.075 7.152 35.343 -99.200 -91.000 TYR 299 0.840 16.474 14.466 35.881 -99.200 -91.000 HIS 315 0.900 33.571 1.811 40.333 -99.200 -91.000 HIS 328 0.900 15.816 0.175 27.979 -99.200 -91.000 TRP 341 1.040 3.397 12.122 19.082 -99.200 -91.000 TRP6 341 1.020 4.136 11.429 16.940 -99.200 -91.000 PHE 345 1.000 1.544 15.745 12.345 -99.200 -91.000