============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 9 1.000 12.863 -10.605 46.577 -99.200 -91.000 PHE 38 1.000 10.551 -16.115 33.570 -99.200 -91.000 PHE 40 1.000 7.610 -11.677 38.078 -99.200 -91.000 TYR 49 0.840 6.816 -12.498 32.309 -99.200 -91.000 PHE 65 1.000 -3.076 -20.798 25.017 -99.200 -91.000 PHE 75 1.000 -2.583 0.742 36.098 -99.200 -91.000 PHE 79 1.000 -3.317 7.050 27.862 -99.200 -91.000 PHE 85 1.000 -1.670 -1.330 22.214 -99.200 -91.000 TRP 88 1.040 -11.439 -7.247 28.112 -99.200 -91.000 TRP6 88 1.020 -9.837 -8.810 28.884 -99.200 -91.000 HIS 90 0.900 -14.799 -13.270 22.900 -99.200 -91.000 TRP 94 1.040 -10.616 -6.116 18.285 -99.200 -91.000 TRP6 94 1.020 -10.955 -8.036 16.953 -99.200 -91.000 HIS 98 0.900 -9.824 -7.098 12.669 -99.200 -91.000 PHE 105 1.000 -4.510 1.366 10.162 -99.200 -91.000 TYR 113 0.840 -3.295 6.092 4.929 -99.200 -91.000 HIS 114 0.900 5.246 7.635 -0.931 -99.200 -91.000 TRP 128 1.040 18.257 15.132 11.139 -99.200 -91.000 TRP6 128 1.020 18.328 12.781 10.880 -99.200 -91.000 HIS 136 0.900 24.590 16.579 19.677 -99.200 -91.000 PHE 156 1.000 -5.368 13.996 14.470 -99.200 -91.000 TYR 158 0.840 -3.816 19.785 14.979 -99.200 -91.000 PHE 160 1.000 -0.083 16.269 16.760 -99.200 -91.000 PHE 163 1.000 10.727 17.271 12.248 -99.200 -91.000 TYR 164 0.840 7.674 24.846 10.860 -99.200 -91.000 HIS 169 0.900 -0.714 20.857 19.522 -99.200 -91.000 PHE 171 1.000 -3.053 14.802 21.126 -99.200 -91.000 TYR 196 0.840 2.109 8.031 44.484 -99.200 -91.000 PHE 203 1.000 -3.986 8.985 33.650 -99.200 -91.000 HIS 234 0.900 -9.726 5.856 4.189 -99.200 -91.000 TYR 254 0.840 -12.091 6.367 24.173 -99.200 -91.000 PHE 259 1.000 -5.626 4.415 14.335 -99.200 -91.000 HIS 262 0.900 1.031 0.125 19.368 -99.200 -91.000 HIS 264 0.900 4.494 8.534 20.350 -99.200 -91.000 PHE 273 1.000 16.173 -0.204 20.113 -99.200 -91.000 TYR 276 0.840 23.091 0.577 18.824 -99.200 -91.000 PHE 277 1.000 20.890 -3.460 16.519 -99.200 -91.000 HIS 283 0.900 32.549 -4.712 6.673 -99.200 -91.000 TYR 303 0.840 2.771 2.176 -2.648 -99.200 -91.000 TYR 311 0.840 21.221 -5.021 3.224 -99.200 -91.000 TRP 323 1.040 17.806 -4.532 21.407 -99.200 -91.000 TRP6 323 1.020 17.320 -5.519 23.502 -99.200 -91.000 PHE 329 1.000 2.250 -11.466 21.456 -99.200 -91.000 TYR 332 0.840 -8.773 -14.641 27.356 -99.200 -91.000 TYR 343 0.840 5.727 -26.452 31.220 -99.200 -91.000 HIS 359 0.900 11.542 -11.283 17.506 -99.200 -91.000 TRP 365 1.040 15.604 -16.357 15.309 -99.200 -91.000 TRP6 365 1.020 14.919 -15.286 13.309 -99.200 -91.000 PHE 372 1.000 21.232 -4.804 12.168 -99.200 -91.000 PHE 377 1.000 14.439 -11.053 9.568 -99.200 -91.000 HIS 386 0.900 2.355 -18.660 14.902 -99.200 -91.000 PHE 388 1.000 10.719 -10.610 12.483 -99.200 -91.000 PHE 391 1.000 5.277 -5.019 12.735 -99.200 -91.000 PHE 403 1.000 0.784 5.234 8.965 -99.200 -91.000 HIS 406 0.900