============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 12 1.000 -56.382 94.848 88.492 -99.200 -91.000 PHE 16 1.000 -57.931 87.321 80.160 -99.200 -91.000 HIS 30 0.900 -30.078 70.545 78.470 -99.200 -91.000 TRP 32 1.040 -28.872 65.198 69.907 -99.200 -91.000 TRP6 32 1.020 -29.041 66.195 67.787 -99.200 -91.000 PHE 43 1.000 -46.344 80.866 63.974 -99.200 -91.000 TYR 60 0.840 -30.295 72.069 82.320 -99.200 -91.000 HIS 79 0.900 -55.679 78.367 71.076 -99.200 -91.000 PHE 106 1.000 -41.721 58.966 77.894 -99.200 -91.000 TYR 122 0.840 -56.073 55.297 69.223 -99.200 -91.000 PHE 126 1.000 -54.831 55.413 64.388 -99.200 -91.000 PHE 127 1.000 -45.001 59.066 60.683 -99.200 -91.000 TYR 131 0.840 -45.352 47.599 58.857 -99.200 -91.000 TRP 143 1.040 -50.244 54.012 71.200 -99.200 -91.000 TRP6 143 1.020 -51.020 52.069 70.103 -99.200 -91.000 PHE 152 1.000 -42.500 60.302 68.957 -99.200 -91.000 PHE 158 1.000 -48.700 63.448 75.741 -99.200 -91.000 PHE 169 1.000 -42.451 90.901 86.325 -99.200 -91.000 TYR 170 0.840 -46.783 96.401 81.156 -99.200 -91.000 TYR 197 0.840 -46.295 78.331 79.129 -99.200 -91.000 PHE 200 1.000 -45.544 87.436 74.466 -99.200 -91.000 TYR 216 0.840 -54.741 102.112 61.928 -99.200 -91.000 PHE 218 1.000 -57.020 97.708 59.308 -99.200 -91.000 TYR 227 0.840 -47.770 101.279 81.109 -99.200 -91.000 TYR 244 0.840 -37.201 95.184 77.253 -99.200 -91.000 PHE 281 1.000 -56.620 92.700 79.502 -99.200 -91.000 TYR 288 0.840 -57.466 82.611 87.530 -99.200 -91.000 HIS 291 0.900 -55.436 93.214 93.270 -99.200 -91.000 HIS 293 0.900 -48.652 97.893 96.519 -99.200 -91.000 PHE 296 1.000 -43.334 91.629 95.626 -99.200 -91.000