============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 90 rings ring int. center anis. iso. PHE 10 1.000 37.894 5.025 17.808 -99.200 -91.000 PHE 19 1.000 39.146 -6.322 5.748 -99.200 -91.000 HIS 31 0.900 40.594 8.530 3.969 -99.200 -91.000 PHE 33 1.000 39.587 4.897 12.764 -99.200 -91.000 TYR 53 0.840 38.159 -1.420 7.008 -99.200 -91.000 PHE 57 1.000 30.610 8.756 -1.878 -99.200 -91.000 TYR 68 0.840 37.700 -4.214 25.373 -99.200 -91.000 TRP 76 1.040 41.122 4.131 24.869 -99.200 -91.000 TRP6 76 1.020 38.783 4.254 25.032 -99.200 -91.000 TYR 106 0.840 20.488 -5.264 23.685 -99.200 -91.000 TYR 112 0.840 22.180 0.911 2.733 -99.200 -91.000 TYR 118 0.840 21.635 10.445 1.858 -99.200 -91.000 TRP 119 1.040 19.554 6.990 4.169 -99.200 -91.000 TRP6 119 1.020 17.503 6.505 5.197 -99.200 -91.000 HIS 122 0.900 19.626 3.186 -2.069 -99.200 -91.000 TRP 128 1.040 17.547 -1.002 4.588 -99.200 -91.000 TRP6 128 1.020 15.512 -2.036 5.243 -99.200 -91.000 TRP 152 1.040 31.772 -6.783 19.774 -99.200 -91.000 TRP6 152 1.020 30.010 -5.301 20.074 -99.200 -91.000 PHE 161 1.000 10.746 -8.391 14.559 -99.200 -91.000 PHE 162 1.000 10.605 -0.727 6.974 -99.200 -91.000 HIS 170 0.900 1.837 1.784 -0.497 -99.200 -91.000 PHE 174 1.000 13.835 0.090 10.462 -99.200 -91.000 TYR 191 0.840 18.457 0.831 18.800 -99.200 -91.000 PHE 203 1.000 8.068 8.272 7.726 -99.200 -91.000 PHE 207 1.000 12.803 -1.244 15.039 -99.200 -91.000 TYR 208 0.840 7.222 0.033 21.234 -99.200 -91.000 TRP 216 1.040 13.614 -4.970 17.731 -99.200 -91.000 TRP6 216 1.020 14.463 -3.148 18.952 -99.200 -91.000 PHE 218 1.000 9.097 0.657 12.471 -99.200 -91.000 PHE 225 1.000 5.657 13.027 5.227 -99.200 -91.000 TRP 235 1.040 12.534 16.510 31.418 -99.200 -91.000 TRP6 235 1.020 14.647 16.713 32.436 -99.200 -91.000 TYR 247 0.840 20.070 22.290 2.815 -99.200 -91.000 TYR 253 0.840 8.205 16.402 16.073 -99.200 -91.000 TRP 262 1.040 5.948 10.572 17.359 -99.200 -91.000 TRP6 262 1.020 8.152 11.036 16.623 -99.200 -91.000 TRP 273 1.040 20.085 24.073 20.752 -99.200 -91.000 TRP6 273 1.020 18.767 22.554 21.982 -99.200 -91.000 PHE 288 1.000 17.859 15.914 23.788 -99.200 -91.000 PHE 301 1.000 21.378 19.741 20.859 -99.200 -91.000 HIS 303 0.900 23.770 21.224 15.256 -99.200 -91.000 PHE 307 1.000 30.481 30.893 13.938 -99.200 -91.000 TRP 311 1.040 26.650 17.846 4.258 -99.200 -91.000 TRP6 311 1.020 26.396 18.641 2.073 -99.200 -91.000 TRP 319 1.040 23.971 24.455 22.840 -99.200 -91.000 TRP6 319 1.020 23.419 26.695 22.935 -99.200 -91.000 TYR 327 0.840 25.827 28.504 30.839 -99.200 -91.000 TYR 341 0.840 27.515 12.863 12.143 -99.200 -91.000 TYR 346 0.840 28.151 13.382 35.471 -99.200 -91.000 TYR 352 0.840 35.677 10.757 31.026 -99.200 -91.000 HIS 355 0.900 35.622 16.866 19.210 -99.200 -91.000 TYR 363 0.840 35.220 13.352 8.130 -99.200 -91.000 PHE 367 1.000 38.295 9.471 26.194 -99.200 -91.000 TRP 384 1.