Assignment w1 w2 Q8H-N 119.861 8.174 K9H-N 123.239 8.39 K10H-N 123.239 8.403 D11H-N 122.182 8.41 T12H-N 114.805 8.202 S13H-N 118.75 8.324 N14H-N 119.368 8.233 N14HD21-ND2 113.189 6.836 N14HD22-ND2 113.189 7.504 H15H-N 119.184 7.398 F16H-N 117.473 8.388 H17H-N 124.31 8.86 V18H-N 126.484 9.808 F19H-N 127.982 9.155 V20H-N 126.99 7.81 G21H-N 111.299 8.807 D22H-N 115.446 8.411 L23H-N 112.356 7.632 S24H-N 120.847 8.908 E26H-N 116.038 8.973 I27H-N 121.687 7.367 T28H-N 121.173 9.421 T29H-N 118.426 9.035 E30H-N 119.924 8.429 D31H-N 120.092 7.716 I32H-N 118.194 7.904 K33H-N 121.645 8.307 A34H-N 118.259 7.763 A35H-N 117.995 7.845 F36H-N 112.03 7.994 A37H-N 125.047 8.045 F39H-N 112.601 7.719 G40H-N 104.629 7.622 R41H-N 117.026 8.256 I42H-N 128.046 8.513 S43H-N 123.312 8.853 D44H-N 119.599 7.291 A45H-N 121.427 7.99 R46H-N 115.616 8.658 V47H-N 123.653 7.653 V48H-N 130.505 8.465 K49H-N 125.202 8.123 D50H-N 121.918 8.668 M51H-N 127.036 9.019 A52H-N 120.755 8.571 T53H-N 104.905 7.78 G54H-N 111.364 8.44 K55H-N 119.196 7.72 S56H-N 115.359 8.763 K57H-N 125.906 9.305 G58H-N 107.172 9.249 Y59H-N 112.882 7.096 G60H-N 106.295 8.843 F61H-N 113.8 8.477 V62H-N 119.925 8.975 S63H-N 122.342 8.781 F64H-N 121.974 9.269 F65H-N 117.919 7.742 N66H-N 114.192 8.66 N66HD21-ND2 114.481 7.061 N66HD22-ND2 114.481 7.624 K67H-N 126.632 8.177 W68H-N 116.64 7.591 W68HE1-NE1 130.153 10.204 D69H-N 121.269 6.919 A70H-N 119.71 6.618 E71H-N 117.148 8.324 N72H-N 117.921 7.942 N72HD21-ND2 113.509 6.745 N72HD22-ND2 113.509 8.022 A73H-N 121.657 7.894 I74H-N 116.55 8.1 Q75H-N 117.099 7.65 Q75HE21-NE2 112.983 6.883 Q75HE22-NE2 112.983 7.648 Q76H-N 114.704 8.434 M77H-N 113.099 7.704 G78H-N 106.985 7.059 G79H-N 115.374 8.473 Q80H-N 119.029 7.627 Q80HE21-NE2 114.727 6.991 Q80HE22-NE2 114.727 7.563 W81H-N 120.979 8.636 W81HE1-NE1 129.536 10.154 L82H-N 125.881 8.609 G83H-N 115.425 9.331 G84H-N 107.647 8.756 R85H-N 118.515 7.644 Q86H-N 121.709 7.822 Q86HE21-NE2 112.313 6.763 Q86HE22-NE2 112.313 7.451 I87H-N 118.136 8.176 R88H-N 119.712 7.937 T89H-N 110.638 8.432 N90H-N 114.907 8.649 W91H-N 122.03 8.781 W91HE1-NE1 129.256 10.362 A92H-N 125.688 8.937 R94H-N 122.332 8.182 K95H-N 123.743 8.235 A98H-N 125.542 8.302 K100H-N 121.643 8.416 S101H-N 117.008 8.359 T102H-N 115.639 8.137 Y103H-N 121.861 8.138 E104H-N 122.657 8.229 S105H-N 116.774 8.273 T107H-N 114.197 8.087 K108H-N 123.614 8.284 Q109H-N 121.835 8.372 S110H-N 117.428 8.364 G111H-N 110.736 8.25 S113H-N 116.386 8.497 S114H-N 117.775 8.293 G115H-N 116.818 8.033