============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.571 -6.509 35.479 -99.200 -91.000 TYR 15 0.840 21.126 -9.339 27.477 -99.200 -91.000 PHE 38 1.000 21.693 2.647 20.106 -99.200 -91.000 HIS 45 0.900 36.419 -7.165 21.927 -99.200 -91.000 PHE 47 1.000 36.270 -11.070 25.934 -99.200 -91.000 HIS 49 0.900 28.334 -14.440 21.706 -99.200 -91.000 TYR 51 0.840 31.013 -7.372 13.045 -99.200 -91.000 TYR 52 0.840 25.199 -0.272 12.635 -99.200 -91.000 TYR 60 0.840 26.642 4.480 8.515 -99.200 -91.000 TYR 68 0.840 38.428 8.010 25.165 -99.200 -91.000 TYR 71 0.840 30.862 3.903 29.173 -99.200 -91.000 TRP 76 1.040 32.169 2.934 23.978 -99.200 -91.000 TRP6 76 1.020 31.532 4.683 22.527 -99.200 -91.000 HIS 89 0.900 10.132 -9.038 22.525 -99.200 -91.000 PHE 108 1.000 31.400 -0.898 26.283 -99.200 -91.000 PHE 109 1.000 31.977 -4.438 22.860 -99.200 -91.000 TRP 115 1.040 26.270 -6.526 27.862 -99.200 -91.000 TRP6 115 1.020 28.004 -5.005 27.350 -99.200 -91.000 TYR 123 0.840 17.861 14.148 31.918 -99.200 -91.000 PHE 136 1.000 16.333 4.926 21.311 -99.200 -91.000 PHE 137 1.000 12.821 7.869 26.990 -99.200 -91.000 HIS 145 0.900 1.901 11.557 18.611 -99.200 -91.000 PHE 150 1.000 14.189 5.542 31.474 -99.200 -91.000 HIS 170 0.900 -0.155 1.975 38.193 -99.200 -91.000 TYR 173 0.840 3.737 0.588 41.572 -99.200 -91.000 TRP 178 1.040 6.847 6.683 49.527 -99.200 -91.000 TRP6 178 1.020 6.226 8.551 50.824 -99.200 -91.000 TYR 179 0.840 6.878 9.647 41.645 -99.200 -91.000 TRP 186 1.040 24.487 16.174 36.176 -99.200 -91.000 TRP6 186 1.020 26.807 16.376 36.551 -99.200 -91.000 TYR 187 0.840 26.829 11.531 35.465 -99.200 -91.000 TYR 188 0.840 17.864 9.660 34.269 -99.200 -91.000 TYR 209 0.840 25.221 10.649 54.535 -99.200 -91.000 TYR 211 0.840 33.875 14.953 47.339 -99.200 -91.000 PHE 230 1.000 34.399 1.140 50.881 -99.200 -91.000 PHE 246 1.000 32.705 -12.329 56.833 -99.200 -91.000 PHE 250 1.000 33.046 -9.921 52.008 -99.200 -91.000 TRP 251 1.040 35.373 -6.614 55.417 -99.200 -91.000 TRP6 251 1.020 33.028 -6.541 55.676 -99.200 -91.000 TRP 259 1.040 29.132 -18.224 55.011 -99.200 -91.000 TRP6 259 1.020 28.897 -16.131 53.945 -99.200 -91.000 TRP 266 1.040 20.823 -15.066 53.266 -99.200 -91.000 TRP6 266 1.020 22.089 -13.927 51.630 -99.200 -91.000 PHE 269 1.000 27.209 -10.600 56.065 -99.200 -91.000 TYR 275 0.840 16.130 7.459 56.464 -99.200 -91.000 PHE 285 1.000 11.730 8.370 48.561 -99.200 -91.000 TYR 294 0.840 24.818 -5.490 52.347 -99.200 -91.000 TYR 309 0.840 26.397 -15.152 48.682 -99.200 -91.000 PHE 311 1.000 31.028 -4.856 51.316 -99.200 -91.000 PHE 330 1.000 14.261 -0.955 46.706 -99.200 -91.000 TYR 331 0.840 7.788 -0.035 38.018 -99.200 -91.000 PHE 334 1.000 15.636 5.764 36.044 -99.200 -91.000 PHE 343 1.000 14.427 5.155 43.967 -99.200 -91.000 HIS 349 0.900 8.997 -8.403 47.670 -99.200 -91.000 HIS 351 0.900 10.386 -11.587 49.962 -99.200 -91.000 PHE 354 1.000 13.848 -14.741 61.071 -99.200 -91.000 PHE 363 1.000 11.252 7.555 57.617 -99.200 -91.000 TYR 373 0.840 30.985 18.751 47.552 -99.200 -91.000