============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 12 0.840 100.103 18.376 77.147 -99.200 -91.000 PHE 34 1.000 97.529 28.633 68.074 -99.200 -91.000 TYR 35 0.840 107.475 29.061 63.799 -99.200 -91.000 PHE 48 1.000 89.728 19.990 68.857 -99.200 -91.000 PHE 57 1.000 90.943 33.480 71.293 -99.200 -91.000 PHE 65 1.000 110.311 33.043 68.026 -99.200 -91.000 TYR 74 0.840 100.672 38.878 78.345 -99.200 -91.000 PHE 77 1.000 110.229 30.849 74.079 -99.200 -91.000 PHE 79 1.000 110.598 26.134 71.906 -99.200 -91.000 TYR 97 0.840 126.616 4.756 79.747 -99.200 -91.000 PHE 110 1.000 124.744 17.440 80.184 -99.200 -91.000 PHE 117 1.000 120.609 25.557 78.439 -99.200 -91.000 TYR 123 0.840 112.373 29.870 68.575 -99.200 -91.000 PHE 138 1.000 102.763 26.212 79.054 -99.200 -91.000 HIS 144 0.900 119.652 23.550 83.244 -99.200 -91.000 PHE 148 1.000 120.687 29.897 77.993 -99.200 -91.000 TYR 152 0.840 124.364 31.773 83.374 -99.200 -91.000 TYR 155 0.840 113.099 39.225 77.187 -99.200 -91.000 PHE 158 1.000 112.229 32.205 79.395 -99.200 -91.000 PHE 168 1.000 99.999 20.146 97.813 -99.200 -91.000 PHE 176 1.000 91.718 21.579 104.010 -99.200 -91.000 PHE 184 1.000 100.296 32.899 100.950 -99.200 -91.000 TYR 187 0.840 105.849 25.000 95.216 -99.200 -91.000 TYR 188 0.840 111.379 26.061 100.763 -99.200 -91.000 HIS 192 0.900 109.491 19.008 86.439 -99.200 -91.000 PHE 195 1.000 112.368 19.931 98.580 -99.200 -91.000 PHE 200 1.000 99.656 29.549 106.432 -99.200 -91.000 PHE 211 1.000 103.347 17.158 106.176 -99.200 -91.000 PHE 220 1.000 108.958 10.467 98.373 -99.200 -91.000 TRP 223 1.040 109.276 5.392 106.979 -99.200 -91.000 TRP6 223 1.020 111.161 6.546 106.145 -99.200 -91.000 PHE 224 1.000 110.133 11.513 102.536 -99.200 -91.000 TYR 225 0.840 104.834 12.602 102.753 -99.200 -91.000 TYR 235 0.840 108.983 15.101 87.632 -99.200 -91.000 TYR 238 0.840 111.920 10.125 88.310 -99.200 -91.000 TYR 239 0.840 117.170 14.480 92.331 -99.200 -91.000 PHE 246 1.000 118.678 1.404 86.171 -99.200 -91.000 HIS 252 0.900 107.543 -1.631 84.125 -99.200 -91.000 PHE 267 1.000 98.654 16.072 66.596 -99.200 -91.000 TYR 270 0.840 93.828 16.940 69.408 -99.200 -91.000 TYR 288 0.840 102.945 22.150 81.909 -99.200 -91.000 HIS 294 0.900 93.182 30.544 86.424 -99.200 -91.000 HIS 307 0.900 98.636 33.405 89.038 -99.200 -91.000 TYR 324 0.840 121.067 29.182 94.474 -99.200 -91.000 TYR 331 0.840 100.600 41.849 94.642 -99.200 -91.000 HIS 338 0.900 106.219 43.594 92.231 -99.200 -91.000 HIS 347 0.900 119.661 23.704 108.075 -99.200 -91.000 PHE 348 1.000 115.208 15.740 102.783 -99.200 -91.000 PHE 352 1.000 117.221 16.073 97.839 -99.200 -91.000 HIS 354 0.900 122.684 26.019 98.554 -99.200 -91.000 TYR 359 0.840 122.502 19.561 85.924 -99.200 -91.000 TYR 367 0.840 124.453 26.723 74.431 -99.200 -91.000 HIS 382 0.900 121.242 15.741 88.194 -99.200 -91.000 TYR 405 0.840 117.687 18.803 67.349 -99.200 -91.000