============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 98.587 -2.392 46.153 -99.200 -91.000 PHE 3 1.000 97.746 2.089 49.055 -99.200 -91.000 PHE 5 1.000 98.674 9.956 50.495 -99.200 -91.000 TYR 9 0.840 98.209 26.499 44.607 -99.200 -91.000 PHE 18 1.000 84.853 10.218 50.762 -99.200 -91.000 PHE 38 1.000 76.028 14.247 32.598 -99.200 -91.000 PHE 44 1.000 73.515 7.071 47.264 -99.200 -91.000 PHE 48 1.000 83.720 3.511 44.721 -99.200 -91.000 TYR 58 0.840 76.908 24.127 43.856 -99.200 -91.000 PHE 64 1.000 71.213 15.741 35.254 -99.200 -91.000 PHE 76 1.000 71.918 14.208 29.394 -99.200 -91.000 PHE 93 1.000 82.752 -0.096 40.764 -99.200 -91.000 TYR 96 0.840 80.671 -2.295 35.701 -99.200 -91.000 PHE 98 1.000 86.559 -1.479 28.681 -99.200 -91.000 PHE 101 1.000 87.289 1.978 23.285 -99.200 -91.000 TYR 111 0.840 80.510 16.209 18.368 -99.200 -91.000 TYR 113 0.840 91.139 15.832 11.922 -99.200 -91.000 PHE 119 1.000 78.175 22.354 14.882 -99.200 -91.000 TRP 130 1.040 92.663 3.510 36.419 -99.200 -91.000 TRP6 130 1.020 94.643 3.459 37.743 -99.200 -91.000 HIS 135 0.900 87.635 -6.021 48.389 -99.200 -91.000 TYR 139 0.840 83.695 -8.572 34.370 -99.200 -91.000 HIS 140 0.900 82.398 -4.492 40.591 -99.200 -91.000 PHE 147 1.000 91.440 -2.012 26.616 -99.200 -91.000 PHE 148 1.000 88.886 4.867 27.135 -99.200 -91.000 HIS 150 0.900 95.977 3.069 18.395 -99.200 -91.000 PHE 163 1.000 98.337 20.298 46.050 -99.200 -91.000 PHE 181 1.000 90.681 13.290 37.921 -99.200 -91.000 PHE 182 1.000 90.263 5.897 33.289 -99.200 -91.000 TYR 188 0.840 87.051 7.205 45.002 -99.200 -91.000 TYR 200 0.840 94.656 22.784 44.325 -99.200 -91.000 TRP 221 1.040 99.668 5.099 34.988 -99.200 -91.000 TRP6 221 1.020 101.502 4.627 33.579 -99.200 -91.000 HIS 226 0.900 101.079 7.089 46.714 -99.200 -91.000 TRP 254 1.040 103.679 9.836 26.114 -99.200 -91.000 TRP6 254 1.020 105.879 9.296 26.788 -99.200 -91.000 HIS 273 0.900 101.173 -0.799 32.574 -99.200 -91.000 PHE 281 1.000 100.954 5.841 27.617 -99.200 -91.000 PHE 294 1.000 120.597 2.568 20.220 -99.200 -91.000 TYR 307 0.840 101.922 -12.164 36.591 -99.200 -91.000 PHE 311 1.000 93.168 -6.941 39.432 -99.200 -91.000 HIS 313 0.900 87.081 -13.107 45.195 -99.200 -91.000 PHE 315 1.000 93.903 -17.819 41.857 -99.200 -91.000 PHE 318 1.000 99.712 -15.597 45.542 -99.200 -91.000 TYR 319 0.840 96.916 -9.159 37.327 -99.200 -91.000 TRP 324 1.040 108.146 -7.756 48.793 -99.200 -91.000 TRP6 324 1.020 110.255 -7.326 49.782 -99.200 -91.000 TYR 327 0.840 115.017 -4.901 46.042 -99.200 -91.000 TYR 336 0.840 121.944 -5.883 30.449 -99.200 -91.000