============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 18 0.840 61.900 24.561 -30.741 -99.200 -91.000 PHE 21 1.000 69.869 23.830 -40.738 -99.200 -91.000 TYR 33 0.840 52.242 31.239 -28.046 -99.200 -91.000 TYR 40 0.840 61.925 22.644 -25.521 -99.200 -91.000 TYR 49 0.840 69.950 28.372 -38.038 -99.200 -91.000 PHE 74 1.000 71.728 31.586 -22.470 -99.200 -91.000 TRP 80 1.040 76.507 33.246 -43.566 -99.200 -91.000 TRP6 80 1.020 76.690 30.949 -42.985 -99.200 -91.000 TYR 86 0.840 85.963 46.960 -34.759 -99.200 -91.000 PHE 93 1.000 74.542 41.988 -30.659 -99.200 -91.000 TYR 104 0.840 68.914 40.628 -22.177 -99.200 -91.000 TYR 108 0.840 76.184 37.849 -32.672 -99.200 -91.000 HIS 111 0.900 75.749 29.668 -38.354 -99.200 -91.000 PHE 114 1.000 84.912 27.777 -42.809 -99.200 -91.000 HIS 118 0.900 92.639 35.746 -34.378 -99.200 -91.000 TRP 121 1.040 86.829 36.624 -29.084 -99.200 -91.000 TRP6 121 1.020 84.958 35.277 -28.652 -99.200 -91.000 TYR 128 0.840 81.187 39.479 -21.953 -99.200 -91.000 PHE 141 1.000 86.055 29.336 -34.114 -99.200 -91.000 TYR 142 0.840 87.671 20.834 -36.717 -99.200 -91.000 HIS 152 0.900 96.967 35.218 -31.628 -99.200 -91.000 HIS 153 0.900 91.259 38.175 -30.175 -99.200 -91.000 HIS 165 0.900 76.117 12.793 -34.501 -99.200 -91.000 PHE 167 1.000 74.972 6.655 -35.150 -99.200 -91.000 TYR 168 0.840 82.394 14.444 -35.281 -99.200 -91.000 PHE 176 1.000 91.521 22.694 -26.397 -99.200 -91.000 TYR 180 0.840 93.289 25.107 -22.675 -99.200 -91.000 TRP 187 1.040 76.520 22.087 -34.924 -99.200 -91.000 TRP6 187 1.020 76.397 20.608 -36.794 -99.200 -91.000 PHE 190 1.000 67.090 14.185 -31.150 -99.200 -91.000 PHE 198 1.000 65.444 10.202 -34.099 -99.200 -91.000 TYR 210 0.840 67.344 3.545 -17.655 -99.200 -91.000 TRP 221 1.040 75.828 9.728 -24.249 -99.200 -91.000 TRP6 221 1.020 76.253 10.847 -26.277 -99.200 -91.000 PHE 246 1.000 66.589 17.632 -18.037 -99.200 -91.000 PHE 248 1.000 66.075 8.711 -18.728 -99.200 -91.000 PHE 268 1.000 74.889 16.474 -40.478 -99.200 -91.000 PHE 269 1.000 79.565 20.237 -43.793 -99.200 -91.000 HIS 271 0.900 82.593 22.750 -39.974 -99.200 -91.000 TRP 279 1.040 80.989 22.688 -52.195 -99.200 -91.000 TRP6 279 1.020 79.800 23.437 -54.117 -99.200 -91.000