============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 3 0.840 20.870 6.656 20.090 -99.200 -91.000 TYR 6 0.840 23.795 7.678 14.844 -99.200 -91.000 TYR 17 0.840 29.433 14.610 6.184 -99.200 -91.000 HIS 34 0.900 10.739 6.383 14.090 -99.200 -91.000 HIS 39 0.900 18.118 7.819 22.318 -99.200 -91.000 TYR 69 0.840 25.783 9.632 -7.594 -99.200 -91.000 HIS 72 0.900 23.012 24.623 -4.574 -99.200 -91.000 TYR 78 0.840 14.283 27.913 4.094 -99.200 -91.000 HIS 82 0.900 5.493 33.307 -4.904 -99.200 -91.000 HIS 86 0.900 0.190 17.882 -6.325 -99.200 -91.000 PHE 101 1.000 9.796 19.060 -8.648 -99.200 -91.000 TRP 105 1.040 9.272 18.147 -0.081 -99.200 -91.000 TRP6 105 1.020 10.619 19.668 1.040 -99.200 -91.000 PHE 109 1.000 12.277 12.313 11.730 -99.200 -91.000 HIS 117 0.900 34.401 18.803 12.015 -99.200 -91.000 HIS 121 0.900 21.172 24.094 18.259 -99.200 -91.000 PHE 125 1.000 11.682 20.332 5.829 -99.200 -91.000 PHE 126 1.000 15.250 12.648 6.743 -99.200 -91.000 HIS 128 0.900 5.546 10.229 0.554 -99.200 -91.000 HIS 134 0.900 16.090 22.473 1.831 -99.200 -91.000 TYR 137 0.840 22.694 21.374 9.208 -99.200 -91.000 TRP 147 1.040 16.008 26.551 15.435 -99.200 -91.000 TRP6 147 1.020 16.255 25.868 13.230 -99.200 -91.000 PHE 154 1.000 5.263 24.024 12.517 -99.200 -91.000 TRP 176 1.040 13.786 18.830 -26.811 -99.200 -91.000 TRP6 176 1.020 15.100 17.405 -25.481 -99.200 -91.000 HIS 183 0.900 10.155 26.553 -15.702 -99.200 -91.000 PHE 185 1.000 13.107 17.336 -20.669 -99.200 -91.000 PHE 186 1.000 10.188 20.040 -14.718 -99.200 -91.000 PHE 200 1.000 18.785 14.668 -21.631 -99.200 -91.000 TYR 209 0.840 26.053 18.856 -28.295 -99.200 -91.000 PHE 233 1.000 18.610 25.051 -12.488 -99.200 -91.000 PHE 243 1.000 26.178 30.455 -7.496 -99.200 -91.000 HIS 253 0.900 41.441 17.324 -1.312 -99.200 -91.000 TRP 256 1.040 34.918 14.581 -2.751 -99.200 -91.000 TRP6 256 1.020 32.619 14.719 -2.394 -99.200 -91.000 PHE 260 1.000 35.470 25.193 -1.173 -99.200 -91.000 PHE 264 1.000 26.896 27.245 -4.830 -99.200 -91.000 HIS 267 0.900 31.752 20.443 -0.302 -99.200 -91.000 TRP 277 1.040 23.612 12.954 -22.080 -99.200 -91.000 TRP6 277 1.020 22.918 12.215 -24.171 -99.200 -91.000 PHE 287 1.000 15.919 25.862 -29.609 -99.200 -91.000 PHE 294 1.000 21.722 12.961 -16.887 -99.200 -91.000 TYR 305 0.840 19.299 25.582 -18.231 -99.200 -91.000 TRP 318 1.040 25.198 28.758 -20.970 -99.200 -91.000 TRP6 318 1.020 26.413 27.635 -19.359 -99.200 -91.000