============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 24 1.000 58.236 8.485 92.565 -99.200 -91.000 PHE 25 1.000 55.700 7.066 97.004 -99.200 -91.000 PHE 27 1.000 57.656 17.689 92.636 -99.200 -91.000 TYR 34 0.840 47.588 17.612 83.504 -99.200 -91.000 TYR 39 0.840 41.570 17.811 93.009 -99.200 -91.000 PHE 44 1.000 46.516 19.174 88.485 -99.200 -91.000 TYR 50 0.840 62.067 14.575 90.747 -99.200 -91.000 TYR 65 0.840 44.391 13.846 101.642 -99.200 -91.000 TRP 76 1.040 54.118 6.188 109.377 -99.200 -91.000 TRP6 76 1.020 52.059 6.535 108.261 -99.200 -91.000 TYR 78 0.840 65.189 7.778 110.578 -99.200 -91.000 TRP 101 1.040 47.699 5.129 88.415 -99.200 -91.000 TRP6 101 1.020 49.267 5.416 86.660 -99.200 -91.000 PHE 103 1.000 53.501 4.899 92.527 -99.200 -91.000 PHE 139 1.000 52.327 2.749 75.118 -99.200 -91.000 PHE 149 1.000 43.058 12.012 95.795 -99.200 -91.000 TYR 154 0.840 47.666 -1.516 100.960 -99.200 -91.000 TRP 165 1.040 47.628 9.810 108.869 -99.200 -91.000 TRP6 165 1.020 48.182 9.084 106.683 -99.200 -91.000 PHE 172 1.000 40.349 -6.732 98.265 -99.200 -91.000 PHE 184 1.000 62.560 6.416 93.201 -99.200 -91.000 HIS 189 0.900 63.589 4.197 102.240 -99.200 -91.000 TYR 197 0.840 45.564 -1.835 81.700 -99.200 -91.000