============================================================================= 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. PHE 3 1.000 93.967 47.738 -14.428 -99.200 -91.000 TYR 12 0.840 88.472 53.499 -7.383 -99.200 -91.000 PHE 13 1.000 93.519 53.588 -12.748 -99.200 -91.000 TRP 16 1.040 93.940 61.490 -6.579 -99.200 -91.000 TRP6 16 1.020 93.917 61.496 -4.233 -99.200 -91.000 PHE 24 1.000 101.981 55.852 -2.757 -99.200 -91.000 HIS 26 0.900 95.066 47.297 -1.076 -99.200 -91.000 TRP 28 1.040 94.363 40.343 4.386 -99.200 -91.000 TRP6 28 1.020 93.822 40.075 6.695 -99.200 -91.000 TRP 35 1.040 98.843 53.010 -0.571 -99.200 -91.000 TRP6 35 1.020 100.915 52.771 0.552 -99.200 -91.000 TYR 37 0.840 95.370 61.222 6.019 -99.200 -91.000 TYR 41 0.840 104.627 65.330 2.470 -99.200 -91.000 TYR 47 0.840 107.986 63.751 -6.529 -99.200 -91.000 PHE 52 1.000 97.271 48.018 -7.078 -99.200 -91.000 PHE 57 1.000 91.691 42.422 -0.451 -99.200 -91.000 TRP 64 1.040 86.418 30.457 -6.853 -99.200 -91.000 TRP6 64 1.020 85.675 30.349 -4.596 -99.200 -91.000 TYR 69 0.840 101.898 38.099 -2.987 -99.200 -91.000 PHE 72 1.000 96.930 39.164 -5.309 -99.200 -91.000 HIS 82 0.900 94.216 51.836 -18.712 -99.200 -91.000 PHE 93 1.000 101.209 48.540 5.600 -99.200 -91.000 TYR 103 0.840 105.938 45.686 -12.851 -99.200 -91.000 HIS 107 0.900 105.040 41.606 -16.207 -99.200 -91.000 PHE 125 1.000 103.784 37.393 7.464 -99.200 -91.000 TYR 131 0.840 113.343 33.052 6.424 -99.200 -91.000 PHE 140 1.000 101.059 33.364 8.077 -99.200 -91.000 PHE 143 1.000 96.478 35.091 12.373 -99.200 -91.000 PHE 154 1.000 91.418 37.561 11.937 -99.200 -91.000 PHE 158 1.000 95.142 42.844 10.982 -99.200 -91.000 PHE 162 1.000 97.112 47.744 10.076 -99.200 -91.000 TYR 163 0.840 95.522 51.228 12.705 -99.200 -91.000 PHE 198 1.000 98.957 37.683 4.350 -99.200 -91.000 PHE 203 1.000 106.586 37.656 -2.250 -99.200 -91.000 HIS 218 0.900 109.005 45.498 8.655 -99.200 -91.000 PHE 227 1.000 113.975 45.210 11.552 -99.200 -91.000 TYR 246 0.840 109.716 55.284 9.973 -99.200 -91.000 HIS 251 0.900 101.972 45.389 9.196 -99.200 -91.000 PHE 253 1.000 105.916 51.930 8.592 -99.200 -91.000 HIS 257 0.900 105.778 55.830 14.031 -99.200 -91.000 PHE 268 1.000 113.814 55.547 -2.793 -99.200 -91.000