============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 26.493 88.953 97.550 -99.200 -91.000 TYR 24 0.840 28.522 84.849 103.406 -99.200 -91.000 TYR 26 0.840 24.711 95.463 103.530 -99.200 -91.000 TYR 32 0.840 37.812 97.495 105.312 -99.200 -91.000 PHE 33 1.000 33.599 99.438 108.018 -99.200 -91.000 PHE 38 1.000 38.223 102.807 112.154 -99.200 -91.000 PHE 41 1.000 32.990 103.760 111.258 -99.200 -91.000 HIS 43 0.900 26.304 97.231 117.276 -99.200 -91.000 TRP 44 1.040 25.127 101.407 110.718 -99.200 -91.000 TRP6 44 1.020 24.887 100.812 108.435 -99.200 -91.000 HIS 55 0.900 15.182 94.435 104.222 -99.200 -91.000 PHE 59 1.000 11.443 90.079 98.599 -99.200 -91.000 TYR 60 0.840 10.603 80.728 104.330 -99.200 -91.000 TYR 62 0.840 3.328 87.916 98.098 -99.200 -91.000 TYR 64 0.840 7.197 78.358 101.603 -99.200 -91.000 TRP 82 1.040 34.713 97.196 100.321 -99.200 -91.000 TRP6 82 1.020 34.175 95.255 101.565 -99.200 -91.000 PHE 89 1.000 29.689 102.888 106.289 -99.200 -91.000 HIS 95 0.900 24.186 94.477 97.534 -99.200 -91.000 PHE 98 1.000 22.066 94.127 92.014 -99.200 -91.000 TYR 104 0.840 12.348 101.342 91.783 -99.200 -91.000 HIS 116 0.900 -4.026 94.451 89.638 -99.200 -91.000 PHE 121 1.000 5.783 90.814 99.606 -99.200 -91.000 TRP 124 1.040 7.471 96.993 104.812 -99.200 -91.000 TRP6 124 1.020 9.686 96.175 104.956 -99.200 -91.000 PHE 125 1.000 10.403 93.660 100.651 -99.200 -91.000 PHE 154 1.000 39.533 107.153 118.067 -99.200 -91.000 TYR 159 0.840 25.113 108.462 114.999 -99.200 -91.000