============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 10 1.000 -3.861 13.630 32.505 -99.200 -91.000 PHE 35 1.000 -14.765 6.591 31.995 -99.200 -91.000 TYR 40 0.840 -10.520 13.601 25.101 -99.200 -91.000 TYR 43 0.840 -8.713 19.254 23.336 -99.200 -91.000 PHE 45 1.000 -0.112 18.361 31.135 -99.200 -91.000 TYR 47 0.840 -5.198 23.629 22.979 -99.200 -91.000 HIS 51 0.900 -5.906 26.678 36.907 -99.200 -91.000 TYR 54 0.840 3.030 21.888 30.377 -99.200 -91.000 PHE 60 1.000 -0.819 10.721 19.594 -99.200 -91.000 HIS 70 0.900 8.991 11.756 32.653 -99.200 -91.000 TYR 75 0.840 0.047 1.616 32.685 -99.200 -91.000 TRP 85 1.040 -0.797 1.371 40.287 -99.200 -91.000 TRP6 85 1.020 -0.776 3.389 39.059 -99.200 -91.000 TYR 92 0.840 6.092 7.080 47.677 -99.200 -91.000 TYR 100 0.840 -11.927 3.129 42.462 -99.200 -91.000 HIS 109 0.900 -4.907 2.737 43.021 -99.200 -91.000 PHE 129 1.000 -0.891 12.221 57.518 -99.200 -91.000 TYR 138 0.840 3.888 8.932 55.769 -99.200 -91.000 HIS 164 0.900 -6.546 25.958 69.770 -99.200 -91.000 PHE 167 1.000 -4.599 36.134 68.688 -99.200 -91.000 HIS 178 0.900 -15.375 24.692 46.574 -99.200 -91.000 TYR 180 0.840 -18.853 26.452 37.749 -99.200 -91.000 TRP 195 1.040 -32.920 14.719 46.709 -99.200 -91.000 TRP6 195 1.020 -35.141 14.961 47.457 -99.200 -91.000 HIS 202 0.900 -23.403 30.239 33.942 -99.200 -91.000 PHE 232 1.000 -24.446 29.563 51.598 -99.200 -91.000 TYR 254 0.840 -8.562 42.024 61.353 -99.200 -91.000 TYR 275 0.840 -1.145 40.172 56.290 -99.200 -91.000 PHE 285 1.000 -6.068 35.577 46.256 -99.200 -91.000 HIS 290 0.900 1.319 31.499 48.734 -99.200 -91.000 PHE 294 1.000 -5.959 37.207 57.900 -99.200 -91.000 PHE 306 1.000 -18.747 36.056 67.538 -99.200 -91.000 TRP 312 1.040 -9.460 35.753 48.977 -99.200 -91.000 TRP6 312 1.020 -11.426 35.711 47.688 -99.200 -91.000 TYR 313 0.840 -10.503 27.209 49.482 -99.200 -91.000 TYR 317 0.840 -1.666 25.950 39.371 -99.200 -91.000 TYR 319 0.840 -6.327 18.571 47.549 -99.200 -91.000 HIS 321 0.900 2.039 23.911 42.686 -99.200 -91.000 TYR 329 0.840 6.804 15.070 55.829 -99.200 -91.000 PHE 331 1.000 11.531 8.817 47.557 -99.200 -91.000