============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 16 1.000 35.866 55.208 12.491 -99.200 -91.000 HIS 44 0.900 32.031 77.818 5.356 -99.200 -91.000 TYR 47 0.840 31.568 75.142 13.249 -99.200 -91.000 PHE 50 1.000 28.428 79.640 16.448 -99.200 -91.000 TYR 59 0.840 36.004 86.003 24.060 -99.200 -91.000 PHE 66 1.000 33.719 79.642 17.055 -99.200 -91.000 HIS 76 0.900 35.082 67.541 7.363 -99.200 -91.000 TYR 81 0.840 30.164 69.470 -6.077 -99.200 -91.000 TYR 91 0.840 24.497 67.946 -4.675 -99.200 -91.000 TYR 100 0.840 22.081 82.282 20.565 -99.200 -91.000 TYR 115 0.840 23.961 64.748 14.404 -99.200 -91.000 TYR 121 0.840 30.450 63.158 8.646 -99.200 -91.000 PHE 124 1.000 24.627 60.325 6.843 -99.200 -91.000 HIS 138 0.900 38.847 54.417 1.906 -99.200 -91.000 PHE 140 1.000 29.281 59.555 4.158 -99.200 -91.000 HIS 150 0.900 36.781 69.977 12.836 -99.200 -91.000 TYR 154 0.840 34.533 74.446 17.576 -99.200 -91.000 TYR 158 0.840 32.870 76.463 27.900 -99.200 -91.000 PHE 169 1.000 43.351 77.747 16.930 -99.200 -91.000 HIS 170 0.900 49.981 75.828 12.005 -99.200 -91.000 TYR 177 0.840 45.364 67.170 13.096 -99.200 -91.000 HIS 179 0.900 49.092 70.227 16.798 -99.200 -91.000 PHE 184 1.000 51.145 70.531 12.885 -99.200 -91.000 PHE 191 1.000 49.909 58.290 8.800 -99.200 -91.000 PHE 197 1.000 48.456 70.027 8.599 -99.200 -91.000 TYR 200 0.840 42.541 78.684 8.414 -99.200 -91.000