============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 7 0.840 1.275 9.961 19.728 -99.200 -91.000 PHE 11 1.000 4.674 10.846 15.521 -99.200 -91.000 PHE 37 1.000 4.271 -1.126 19.651 -99.200 -91.000 TRP 48 1.040 25.993 -10.444 4.318 -99.200 -91.000 TRP6 48 1.020 26.422 -9.045 2.438 -99.200 -91.000 TRP 58 1.040 21.263 -16.237 0.741 -99.200 -91.000 TRP6 58 1.020 20.750 -13.950 0.947 -99.200 -91.000 TRP 60 1.040 15.678 -16.880 2.535 -99.200 -91.000 TRP6 60 1.020 15.990 -14.516 2.462 -99.200 -91.000 PHE 66 1.000 9.689 -7.935 10.859 -99.200 -91.000 PHE 69 1.000 3.529 -10.332 14.871 -99.200 -91.000 HIS 73 0.900 -0.573 -9.931 14.049 -99.200 -91.000 HIS 76 0.900 6.077 1.404 7.623 -99.200 -91.000 HIS 80 0.900 18.266 -2.373 11.513 -99.200 -91.000 TRP 84 1.040 25.195 -1.593 10.979 -99.200 -91.000 TRP6 84 1.020 24.145 -3.044 12.526 -99.200 -91.000 HIS 85 0.900 29.734 -0.607 11.673 -99.200 -91.000 HIS 89 0.900 28.705 -14.436 9.138 -99.200 -91.000 PHE 93 1.000 32.845 -6.435 4.773 -99.200 -91.000 TYR 100 0.840 40.067 -4.769 4.125 -99.200 -91.000 HIS 113 0.900 22.831 -9.442 2.120 -99.200 -91.000 TYR 121 0.840 11.635 -10.737 3.047 -99.200 -91.000 TRP 128 1.040 14.536 -3.071 2.156 -99.200 -91.000 TRP6 128 1.020 15.655 -4.600 3.569 -99.200 -91.000 HIS 145 0.900 36.658 -4.822 7.887 -99.200 -91.000 TRP 146 1.040 29.736 -2.940 4.428 -99.200 -91.000 TRP6 146 1.020 29.323 -4.132 2.392 -99.200 -91.000 TYR 147 0.840 35.104 5.604 3.711 -99.200 -91.000 PHE 154 1.000 29.559 2.092 2.994 -99.200 -91.000 TYR 156 0.840 25.586 6.679 -6.536 -99.200 -91.000 PHE 159 1.000 20.522 4.833 0.541 -99.200 -91.000 HIS 170 0.900 10.513 6.636 2.991 -99.200 -91.000 TYR 173 0.840 23.173 7.163 6.899 -99.200 -91.000 TYR 176 0.840 25.952 5.353 16.919 -99.200 -91.000 HIS 202 0.900 12.909 6.959 -2.037 -99.200 -91.000 HIS 209 0.900 19.347 2.728 20.162 -99.200 -91.000 PHE 227 1.000 19.881 14.443 9.867 -99.200 -91.000 HIS 235 0.900 10.918 7.245 8.060 -99.200 -91.000 PHE 236 1.000 13.080 11.320 16.034 -99.200 -91.000 TRP 248 1.040 27.102 6.152 26.652 -99.200 -91.000 TRP6 248 1.020 28.139 4.500 25.295 -99.200 -91.000 PHE 259 1.000 32.588 0.068 26.997 -99.200 -91.000 TYR 261 0.840 26.648 -6.163 36.662 -99.200 -91.000 TYR 268 0.840 17.740 3.254 39.421 -99.200 -91.000 TYR 284 0.840 10.133 7.006 26.359 -99.200 -91.000 PHE 288 1.000 6.151 9.655 21.350 -99.200 -91.000 PHE 291 1.000 10.055 12.191 19.003 -99.200 -91.000 HIS 294 0.900 9.854 20.355 14.589 -99.200 -91.000 PHE 303 1.000 8.173 3.833 21.605 -99.200 -91.000 TRP 304 1.040 16.694 -1.669 18.808 -99.200 -91.000 TRP6 304 1.020 16.194 -1.797 16.487 -99.200 -91.000 TRP 312 1.040 19.378 -1.778 22.480 -99.200 -91.000 TRP6 312 1.020 21.474 -1.094 21.695 -99.200 -91.000 PHE 316 1.000 26.209 -0.963 23.077 -99.200 -91.000 TYR 324 0.840 13.947 -0.857 35.674 -99.200 -91.000 PHE 328 1.000 3.139 -1.023 26.172 -99.200 -91.000 TYR 338 0.840 0.216 3.165 26.881 -99.200 -91.000 PHE 339 1.000 -1.267 4.453 31.843 -99.200 -91.000 HIS 349 0.900 -6.328 22.274 24.785 -99.200 -91.000 HIS 350 0.900 -7.571 19.016 17.530 -99.200 -91.000