============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 36 1.000 52.685 -0.437 27.269 -99.200 -91.000 HIS 37 0.900 46.098 -4.531 23.675 -99.200 -91.000 TRP 41 1.040 41.656 12.124 23.800 -99.200 -91.000 TRP6 41 1.020 43.489 10.956 24.729 -99.200 -91.000 PHE 61 1.000 56.545 -4.147 32.507 -99.200 -91.000 TYR 72 0.840 46.459 22.746 19.349 -99.200 -91.000 HIS 87 0.900 52.712 26.749 36.555 -99.200 -91.000 PHE 108 1.000 44.890 25.795 27.738 -99.200 -91.000 PHE 109 1.000 50.628 22.707 22.119 -99.200 -91.000 HIS 118 0.900 51.143 0.751 39.339 -99.200 -91.000 HIS 123 0.900 61.144 -9.838 45.707 -99.200 -91.000 HIS 128 0.900 54.910 9.954 37.497 -99.200 -91.000 TYR 131 0.840 60.810 13.764 31.393 -99.200 -91.000 TYR 133 0.840 56.107 24.348 25.660 -99.200 -91.000 PHE 134 1.000 49.923 26.441 30.079 -99.200 -91.000 TRP 137 1.040 49.345 29.738 21.712 -99.200 -91.000 TRP6 137 1.020 48.128 28.864 19.883 -99.200 -91.000 TRP 146 1.040 58.543 30.077 27.163 -99.200 -91.000 TRP6 146 1.020 60.416 28.861 27.931 -99.200 -91.000 TRP 147 1.040 54.948 25.535 32.911 -99.200 -91.000 TRP6 147 1.020 53.307 27.222 32.948 -99.200 -91.000 PHE 148 1.000 60.083 22.791 27.799 -99.200 -91.000 TYR 158 0.840 59.669 -7.013 49.648 -99.200 -91.000 TYR 160 0.840 65.635 -6.372 45.653 -99.200 -91.000 PHE 167 1.000 64.161 5.870 38.043 -99.200 -91.000 HIS 168 0.900 67.362 8.953 42.941 -99.200 -91.000 HIS 171 0.900 65.974 9.077 35.486 -99.200 -91.000 HIS 178 0.900 71.015 19.188 28.590 -99.200 -91.000 TYR 183 0.840 70.460 13.476 41.340 -99.200 -91.000 PHE 186 1.000 65.044 20.291 38.069 -99.200 -91.000 TRP 189 1.040 59.740 20.448 43.130 -99.200 -91.000 TRP6 189 1.020 60.068 22.128 41.507 -99.200 -91.000 TYR 193 0.840 53.871 16.338 43.327 -99.200 -91.000 PHE 194 1.000 56.047 11.853 43.073 -99.200 -91.000 TYR 195 0.840 56.011 13.883 54.136 -99.200 -91.000 HIS 198 0.900 47.333 10.176 54.427 -99.200 -91.000 PHE 209 1.000 57.353 16.996 40.706 -99.200 -91.000 PHE 210 1.000 61.626 19.352 34.865 -99.200 -91.000 TYR 213 0.840 64.600 24.166 34.020 -99.200 -91.000 PHE 229 1.000 60.243 11.686 27.109 -99.200 -91.000 PHE 232 1.000 61.007 4.440 32.098 -99.200 -91.000 TYR 236 0.840 60.477 0.212 35.196 -99.200 -91.000 TYR 248 0.840 55.237 -13.267 43.097 -99.200 -91.000 TRP 255 1.040 56.522 -4.253 51.924 -99.200 -91.000 TRP6 255 1.020 55.828 -2.962 53.776 -99.200 -91.000 TYR 263 0.840 51.920 4.983 42.528 -99.200 -91.000 PHE 266 1.000 51.683 11.881 45.842 -99.200 -91.000 TYR 270 0.840 48.606 13.890 50.560 -99.200 -91.000 PHE 276 1.000 42.780 20.981 35.693 -99.200 -91.000 HIS 295 0.900 44.553 -7.344 41.634 -99.200 -91.000 TRP 298 1.040 44.432 1.232 51.903 -99.200 -91.000 TRP6 298 1.020 43.673 0.910 49.701 -99.200 -91.000 TYR 300 0.840 43.274 -0.974 63.336 -99.200 -91.000 HIS 302 0.900 51.810 -4.561 57.726 -99.200 -91.000 HIS 303 0.900 52.673 0.260 62.811 -99.200 -91.000 TRP 323 1.040 68.386 6.872 46.601 -99.200 -91.000 TRP6 323 1.020 68.377 4.617 47.256 -99.200 -91.000