============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 7 1.000 33.088 74.358 -14.205 -99.200 -91.000 TYR 10 0.840 27.982 78.379 -16.009 -99.200 -91.000 PHE 21 1.000 48.790 78.692 -16.493 -99.200 -91.000 HIS 22 0.900 54.796 77.868 -21.544 -99.200 -91.000 PHE 28 1.000 46.999 76.959 -6.319 -99.200 -91.000 TRP 31 1.040 55.532 82.629 -0.045 -99.200 -91.000 TRP6 31 1.020 55.202 82.265 2.263 -99.200 -91.000 TYR 36 0.840 44.257 82.719 -8.053 -99.200 -91.000 PHE 39 1.000 37.290 72.802 -16.237 -99.200 -91.000 TYR 41 0.840 39.195 71.180 -21.730 -99.200 -91.000 TYR 61 0.840 52.419 63.759 -8.689 -99.200 -91.000 TYR 62 0.840 45.053 67.909 -7.809 -99.200 -91.000 PHE 66 1.000 40.082 66.358 -9.735 -99.200 -91.000 PHE 72 1.000 38.392 75.713 3.728 -99.200 -91.000 TYR 81 0.840 49.872 79.834 3.975 -99.200 -91.000 TYR 82 0.840 47.752 72.683 0.304 -99.200 -91.000 TYR 94 0.840 38.917 77.283 -19.550 -99.200 -91.000 HIS 111 0.900 27.604 74.352 -15.625 -99.200 -91.000 PHE 112 1.000 27.150 74.981 -5.329 -99.200 -91.000 PHE 113 1.000 23.168 69.417 -7.758 -99.200 -91.000 TYR 114 0.840 32.704 69.108 -13.520 -99.200 -91.000 PHE 116 1.000 28.573 68.312 -2.892 -99.200 -91.000 TYR 125 0.840 43.521 59.231 -6.191 -99.200 -91.000 PHE 130 1.000 45.050 55.466 5.860 -99.200 -91.000 PHE 133 1.000 51.185 53.313 3.710 -99.200 -91.000 TYR 151 0.840 41.995 50.458 -14.301 -99.200 -91.000 TYR 153 0.840 48.264 59.571 -18.550 -99.200 -91.000 TYR 175 0.840 64.470 52.667 -16.467 -99.200 -91.000 TYR 195 0.840 61.927 51.761 -18.790 -99.200 -91.000 PHE 200 1.000 57.566 50.009 -15.436 -99.200 -91.000 TYR 201 0.840 55.747 48.061 -23.540 -99.200 -91.000 TYR 207 0.840 51.380 41.166 -8.343 -99.200 -91.000 TYR 211 0.840 49.292 41.394 -3.960 -99.200 -91.000 TRP 218 1.040 38.332 56.960 -6.576 -99.200 -91.000 TRP6 218 1.020 39.644 57.723 -8.399 -99.200 -91.000 PHE 219 1.000 41.387 54.864 -11.958 -99.200 -91.000 TYR 220 0.840 32.028 49.227 -11.050 -99.200 -91.000 TRP 227 1.040 37.254 49.105 -13.251 -99.200 -91.000 TRP6 227 1.020 35.637 47.482 -13.857 -99.200 -91.000