============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 30.575 -17.352 13.430 -99.200 -91.000 TYR 31 0.840 12.909 -18.832 11.066 -99.200 -91.000 TYR 36 0.840 15.738 -21.662 16.789 -99.200 -91.000 TYR 37 0.840 17.595 -19.061 24.237 -99.200 -91.000 PHE 38 1.000 22.206 -17.902 17.692 -99.200 -91.000 TRP 40 1.040 29.671 -14.533 19.965 -99.200 -91.000 TRP6 40 1.020 27.337 -14.280 19.681 -99.200 -91.000 TYR 42 0.840 36.244 -14.964 29.541 -99.200 -91.000 PHE 57 1.000 24.316 -10.184 29.287 -99.200 -91.000 PHE 66 1.000 10.617 -6.502 31.166 -99.200 -91.000 TYR 89 0.840 -4.185 8.010 38.894 -99.200 -91.000 TRP 90 1.040 3.074 12.986 44.234 -99.200 -91.000 TRP6 90 1.020 5.072 13.433 43.045 -99.200 -91.000 TRP 98 1.040 3.583 19.344 37.861 -99.200 -91.000 TRP6 98 1.020 4.418 17.465 36.695 -99.200 -91.000 HIS 105 0.900 -0.294 15.257 28.168 -99.200 -91.000 TYR 109 0.840 9.547 8.524 26.443 -99.200 -91.000 PHE 131 1.000 13.085 17.012 38.614 -99.200 -91.000 TYR 132 0.840 8.932 14.534 38.793 -99.200 -91.000 TRP 135 1.040 9.679 20.274 34.232 -99.200 -91.000 TRP6 135 1.020 7.475 19.981 33.430 -99.200 -91.000 TRP 139 1.040 8.997 22.855 23.593 -99.200 -91.000 TRP6 139 1.020 10.493 21.150 24.275 -99.200 -91.000 TYR 147 0.840 14.423 7.776 25.937 -99.200 -91.000 PHE 155 1.000 2.469 5.177 32.731 -99.200 -91.000 PHE 167 1.000 7.933 0.122 38.561 -99.200 -91.000 PHE 176 1.000 10.068 -8.517 36.338 -99.200 -91.000 HIS 183 0.900 16.578 -18.105 36.655 -99.200 -91.000 TRP 185 1.040 15.590 -11.676 40.434 -99.200 -91.000 TRP6 185 1.020 14.157 -11.754 42.310 -99.200 -91.000 TYR 196 0.840 23.931 -7.528 38.354 -99.200 -91.000 TRP 198 1.040 31.259 -8.014 38.176 -99.200 -91.000 TRP6 198 1.020 30.955 -6.185 39.640 -99.200 -91.000 TYR 200 0.840 33.846 -5.989 32.422 -99.200 -91.000 HIS 207 0.900 27.133 -5.596 38.997 -99.200 -91.000 TYR 218 0.840 18.198 4.380 35.601 -99.200 -91.000 TRP 230 1.040 9.870 -7.924 27.523 -99.200 -91.000 TRP6 230 1.020 7.817 -7.581 28.655 -99.200 -91.000 TYR 256 0.840 -1.063 4.988 23.619 -99.200 -91.000 TRP 257 1.040 1.736 11.078 22.048 -99.200 -91.000 TRP6 257 1.020 0.486 13.083 22.028 -99.200 -91.000 TYR 263 0.840 3.052 5.421 13.396 -99.200 -91.000 TRP 268 1.040 7.062 -2.959 23.781 -99.200 -91.000 TRP6 268 1.020 9.176 -3.953 23.414 -99.200 -91.000 TRP 273 1.040 8.001 -5.974 7.715 -99.200 -91.000 TRP6 273 1.020 10.334 -5.916 8.088 -99.200 -91.000 TRP 309 1.040 12.288 -2.411 13.901 -99.200 -91.000 TRP6 309 1.020 13.642 -4.129 13.001 -99.200 -91.000 HIS 311 0.900 13.209 0.481 17.293 -99.200 -91.000 PHE 319 1.000 25.592 -4.973 32.164 -99.200 -91.000 TYR 322 0.840 17.437 -2.746 18.615 -99.200 -91.000 PHE 325 1.000 7.936 -7.034 19.651 -99.200 -91.000 TYR 341 0.840 26.847 -2.710 21.121 -99.200 -91.000 TRP 351 1.040 16.442 -3.744 8.686 -99.200 -91.000 TRP6 351 1.020 17.331 -3.978 6.514 -99.200 -91.000