============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 13 0.840 7.562 22.984 42.923 -99.200 -91.000 PHE 21 1.000 13.948 30.722 41.426 -99.200 -91.000 PHE 47 1.000 11.734 25.746 38.300 -99.200 -91.000 TRP 51 1.040 17.331 19.786 34.671 -99.200 -91.000 TRP6 51 1.020 18.328 18.024 35.824 -99.200 -91.000 HIS 60 0.900 31.845 29.099 43.469 -99.200 -91.000 PHE 80 1.000 19.272 14.883 41.006 -99.200 -91.000 TYR 92 0.840 12.810 17.547 24.406 -99.200 -91.000 TRP 95 1.040 16.959 11.520 28.207 -99.200 -91.000 TRP6 95 1.020 18.341 9.610 28.163 -99.200 -91.000 HIS 96 0.900 21.871 20.270 27.016 -99.200 -91.000 HIS 97 0.900 22.888 18.571 34.864 -99.200 -91.000 TRP 100 1.040 27.134 21.477 31.104 -99.200 -91.000 TRP6 100 1.020 27.804 21.120 33.346 -99.200 -91.000 TRP 110 1.040 32.740 8.520 25.667 -99.200 -91.000 TRP6 110 1.020 30.991 10.006 26.218 -99.200 -91.000 PHE 120 1.000 16.770 4.869 31.280 -99.200 -91.000 PHE 128 1.000 11.918 12.525 21.279 -99.200 -91.000 HIS 129 0.900 13.314 12.941 24.996 -99.200 -91.000 TRP 131 1.040 15.996 4.492 19.622 -99.200 -91.000 TRP6 131 1.020 17.458 2.843 18.767 -99.200 -91.000 TYR 133 0.840 23.493 9.854 26.910 -99.200 -91.000 PHE 136 1.000 26.928 13.370 23.899 -99.200 -91.000 PHE 151 1.000 21.630 -1.507 20.026 -99.200 -91.000 PHE 160 1.000 6.995 -8.614 16.143 -99.200 -91.000 TYR 163 0.840 8.849 5.015 11.449 -99.200 -91.000 TRP 166 1.040 12.394 -1.659 10.442 -99.200 -91.000 TRP6 166 1.020 13.712 -3.153 9.169 -99.200 -91.000 HIS 167 0.900 15.581 7.957 11.646 -99.200 -91.000 TYR 168 0.840 21.406 4.170 15.045 -99.200 -91.000 HIS 177 0.900 27.691 -0.017 1.518 -99.200 -91.000 PHE 197 1.000 6.867 -6.547 3.520 -99.200 -91.000 PHE 198 1.000 5.461 -11.175 2.652 -99.200 -91.000 TRP 207 1.040 3.663 -3.099 5.676 -99.200 -91.000 TRP6 207 1.020 3.715 -4.633 3.880 -99.200 -91.000 PHE 208 1.000 4.914 5.063 6.819 -99.200 -91.000 TYR 209 0.840 14.549 0.316 6.073 -99.200 -91.000 HIS 210 0.900 8.905 -3.041 0.139 -99.200 -91.000 TRP 212 1.040 14.920 5.643 1.865 -99.200 -91.000 TRP6 212 1.020 16.631 4.368 2.827 -99.200 -91.000 TRP 248 1.040 -0.129 -0.847 6.910 -99.200 -91.000 TRP6 248 1.020 0.458 1.453 6.981 -99.200 -91.000 TYR 265 0.840 2.772 -5.958 -13.807 -99.200 -91.000 TYR 272 0.840 -4.122 -5.369 -6.516 -99.200 -91.000 PHE 273 1.000 -3.822 4.019 -7.135 -99.200 -91.000 TYR 286 0.840 -0.946 9.049 -0.466 -99.200 -91.000 PHE 294 1.000 1.994 6.049 -8.715 -99.200 -91.000 TYR 305 0.840 4.433 3.068 -26.786 -99.200 -91.000