============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 5 1.000 72.082 42.370 36.759 -99.200 -91.000 PHE 9 1.000 66.387 37.752 25.063 -99.200 -91.000 TYR 23 0.840 77.877 53.685 35.439 -99.200 -91.000 HIS 27 0.900 73.728 39.630 21.870 -99.200 -91.000 TYR 39 0.840 74.414 37.062 -5.695 -99.200 -91.000 TYR 40 0.840 63.254 40.880 -5.115 -99.200 -91.000 TRP 41 1.040 71.558 43.955 -6.723 -99.200 -91.000 TRP6 41 1.020 73.636 42.946 -7.147 -99.200 -91.000 TRP 50 1.040 72.078 44.560 -1.865 -99.200 -91.000 TRP6 50 1.020 72.801 42.439 -1.115 -99.200 -91.000 TYR 112 0.840 75.538 57.948 19.635 -99.200 -91.000 TYR 165 0.840 59.280 52.205 14.700 -99.200 -91.000 TYR 169 0.840 52.414 43.582 5.221 -99.200 -91.000 HIS 182 0.900 68.197 25.990 -0.226 -99.200 -91.000 PHE 185 1.000 61.372 32.576 -2.482 -99.200 -91.000 TYR 188 0.840 63.448 30.782 -10.892 -99.200 -91.000 TYR 193 0.840 70.389 34.163 -9.582 -99.200 -91.000 TYR 197 0.840 72.588 25.483 -4.613 -99.200 -91.000 TYR 207 0.840 67.562 28.038 -4.083 -99.200 -91.000 TYR 234 0.840 58.851 44.243 18.053 -99.200 -91.000 HIS 250 0.900 56.618 41.473 37.411 -99.200 -91.000 HIS 253 0.900 64.793 39.906 19.293 -99.200 -91.000 HIS 263 0.900 65.826 27.769 25.746 -99.200 -91.000 PHE 264 1.000 65.762 34.045 28.833 -99.200 -91.000 PHE 276 1.000 49.271 40.614 17.851 -99.200 -91.000 PHE 282 1.000 56.164 34.307 10.039 -99.200 -91.000 TRP 293 1.040 49.437 24.595 10.812 -99.200 -91.000 TRP6 293 1.020 50.047 26.687 9.922 -99.200 -91.000 TYR 296 0.840 52.254 28.452 16.658 -99.200 -91.000 PHE 299 1.000 59.895 29.812 9.870 -99.200 -91.000 HIS 302 0.900 53.819 37.035 20.146 -99.200 -91.000 TYR 306 0.840 56.973 36.808 29.462 -99.200 -91.000 HIS 311 0.900 51.714 48.651 36.328 -99.200 -91.000 PHE 322 1.000 56.602 54.648 19.424 -99.200 -91.000 PHE 331 1.000 46.828 32.090 31.222 -99.200 -91.000 PHE 349 1.000 49.489 23.279 17.383 -99.200 -91.000 TYR 351 0.840 55.274 23.559 21.495 -99.200 -91.000