============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 17 0.840 18.184 11.430 8.929 -99.200 -91.000 PHE 32 1.000 28.745 14.615 8.968 -99.200 -91.000 TRP 40 1.040 32.890 7.204 18.134 -99.200 -91.000 TRP6 40 1.020 32.575 4.979 17.389 -99.200 -91.000 PHE 42 1.000 32.653 0.287 13.874 -99.200 -91.000 HIS 54 0.900 31.108 -1.383 10.886 -99.200 -91.000 TYR 57 0.840 42.529 6.766 10.749 -99.200 -91.000 TYR 69 0.840 47.125 14.306 24.271 -99.200 -91.000 TRP 71 1.040 39.010 7.697 21.305 -99.200 -91.000 TRP6 71 1.020 36.851 6.780 20.867 -99.200 -91.000 TYR 75 0.840 27.935 8.375 22.003 -99.200 -91.000 PHE 86 1.000 46.814 6.765 15.678 -99.200 -91.000 HIS 98 0.900 45.406 19.648 5.028 -99.200 -91.000 PHE 112 1.000 28.226 3.204 19.096 -99.200 -91.000 PHE 126 1.000 28.461 25.449 21.114 -99.200 -91.000 PHE 140 1.000 34.980 19.022 8.861 -99.200 -91.000 PHE 141 1.000 30.980 25.025 12.965 -99.200 -91.000 PHE 153 1.000 26.680 22.544 12.453 -99.200 -91.000 HIS 159 0.900 9.416 9.253 6.359 -99.200 -91.000 TYR 165 0.840 24.482 17.094 8.855 -99.200 -91.000 PHE 167 1.000 29.724 20.904 7.682 -99.200 -91.000 PHE 169 1.000 25.926 26.810 1.117 -99.200 -91.000 TYR 175 0.840 15.464 29.373 4.910 -99.200 -91.000 TYR 181 0.840 19.405 33.300 12.578 -99.200 -91.000 PHE 190 1.000 24.503 18.379 25.827 -99.200 -91.000 TRP 191 1.040 25.203 23.258 18.427 -99.200 -91.000 TRP6 191 1.020 25.667 25.444 17.623 -99.200 -91.000 PHE 193 1.000 15.748 24.823 20.720 -99.200 -91.000 TYR 198 0.840 3.456 21.636 26.128 -99.200 -91.000 PHE 208 1.000 9.609 22.042 26.254 -99.200 -91.000 TYR 229 0.840 1.265 13.583 20.138 -99.200 -91.000 TYR 230 0.840 2.236 9.084 22.247 -99.200 -91.000 TYR 245 0.840 2.618 6.329 26.119 -99.200 -91.000 PHE 247 1.000 1.034 5.959 16.866 -99.200 -91.000 PHE 256 1.000 5.460 19.021 20.867 -99.200 -91.000 TYR 263 0.840 9.551 29.003 13.119 -99.200 -91.000 TYR 274 0.840 11.394 5.368 14.061 -99.200 -91.000 PHE 295 1.000 18.854 18.081 28.946 -99.200 -91.000 PHE 298 1.000 12.978 20.835 21.044 -99.200 -91.000 PHE 302 1.000 12.027 20.883 16.286 -99.200 -91.000 TYR 307 0.840 18.650 25.202 5.976 -99.200 -91.000 PHE 310 1.000 22.471 22.730 14.460 -99.200 -91.000 PHE 319 1.000 15.194 26.318 15.731 -99.200 -91.000