Assignment w1 w2 M4H-N 120.406 8.293 A5H-N 124.425 8.082 S6H-N 115.065 8.035 K7H-N 122.798 8.024 T8H-N 112.324 8.423 S9H-N 114.17 8.532 D10H-N 123.602 8.739 L11H-N 119.819 9.045 I12H-N 121.904 9.087 V13H-N 127.15 8.388 L14H-N 125.844 8.83 G15H-N 106.878 7.941 L16H-N 116.267 6.768 W18H-N 123.147 7.154 W18HE1-NE1 129.92 9.696 K19H-N 110.765 8.017 T20H-N 120.716 7.416 T21H-N 119.736 9.17 E22H-N 119.97 9.332 Q23H-N 119.269 8.22 Q23HE21-NE2 112.655 7.751 Q23HE22-NE2 112.655 6.777 D24H-N 119.372 7.391 L25H-N 119.946 8.033 K26H-N 120.564 8.612 E27H-N 120.089 8.194 Y28H-N 118.09 7.87 F29H-N 116.488 8.831 S30H-N 115.006 8.181 T31H-N 112.255 7.245 F32H-N 118.639 7.775 G33H-N 105.565 7.498 E34H-N 117.448 8.191 V35H-N 126.726 8.77 L36H-N 126.518 8.809 M37H-N 117.899 7.201 V38H-N 119.033 8.217 Q39H-N 121.151 8.657 Q39HE21-NE2 109.206 7.355 Q39HE22-NE2 109.206 6.944 V40H-N 124.836 8.989 K41H-N 125.934 7.946 D43H-N 121.994 8.631 L44H-N 128.582 8.806 K45H-N 117.252 8.388 T46H-N 106.581 7.956 G47H-N 110.47 8.189 H48H-N 119.09 7.804 K50H-N 123.992 9.144 G51H-N 107.794 9.753 F52H-N 111.511 7.092 G53H-N 106.907 8.295 F54H-N 115.737 9.11 V55H-N 116.093 8.746 R56H-N 124.434 8.038 R56HE-NE 83.534 6.998 F57H-N 127.335 9.083 T58H-N 113.29 7.97 E59H-N 118.691 8.417 Y60H-N 127.551 9.174 E61H-N 116.644 9.302 T62H-N 115.422 6.891 Q63H-N 121.612 7.136 Q63HE21-NE2 112.252 7.403 Q63HE22-NE2 112.252 6.76 V64H-N 117.085 7.826 K65H-N 121.235 7.374 V66H-N 119.233 8.076 M67H-N 117.931 8.07 S68H-N 111.804 7.375 Q69H-N 116.035 7.3 Q69HE21-NE2 110.743 7.198 Q69HE22-NE2 110.743 6.848 R70H-N 119.069 8.343 R70HE-NE 84.709 7.659 H71H-N 118.273 8.7 M72H-N 128.881 8.809 I73H-N 128.156 8.011 D74H-N 124.222 8.427 G75H-N 100.372 7.528 R76H-N 121.919 7.445 R76HE-NE 83.229 6.566 W77H-N 122.194 8.158 W77HE1-NE1 128.487 9.929 C78H-N 120.862 9.683 D79H-N 119.661 8.013 C80H-N 120.419 9.481 K81H-N 121.604 8.778 L82H-N 122.794 8.621 N84H-N 121.163 8.181 N84HD21-ND2 111.656 7.249 N84HD22-ND2 111.656 6.98 S85H-N 117.144 8.63 K86H-N 123.248 8.086 Q87H-N 121.022 8.128 Q87HE21-NE2 111.797 7.744 Q87HE22-NE2 111.797 7.057 S88H-N 116.994 8.252 Q89H-N 122.495 8.401 Q89HE21-NE2 112.714 7.509 Q89HE22-NE2 112.714 6.813 D90H-N 122.345 8.26 E91H-N 122.49 8.358 L93H-N 123.907 8.352 R94H-N 123.176 8.449 R94HE-NE 84.626 7.171 S95H-N 118.666 7.808 R96H-N 120.677 8.407 K97H-N 120.714 8.081 V98H-N 114.926 8.884 F99H-N 123.973 8.734 V100H-N 126.941 8.015 G101H-N 111.947 9.064 R102H-N 110.467 8.621 R102HE-NE 83.737 6.702 T104H-N 109.275 7.615 E105H-N 123.322 8.879 D106H-N 113.284 7.971 M107H-N 119.224 6.987 T108H-N 114.332 8.041 E109H-N 121.162 9.416 D110H-N 117.001 8.283 E111H-N 120.562 7.7 L112H-N 119.831 8.179 R113H-N 121.459 8.888 R113HE-NE 83.426 7.597 E114H-N 119.677 8.241 F115H-N 119.592 8.102 F116H-N 115.542 8.954 S117H-N 116.443 8.05 Q118H-N 117.746 6.992 Q118HE21-NE2 110.687 6.281 Q118HE22-NE2 110.687 5.855 Y119H-N 117.593 7.763 G120H-N 105.184 7.514 D121H-N 116.466 8.002 V122H-N 126.8 8.999 M123H-N 125.316 8.997 D124H-N 116.261 7.463 V125H-N 121.743 8.013 F126H-N 127.218 8.977 I127H-N 128.43 8.353 K129H-N 119.692 7.97 F131H-N 119.172 8.246 R132H-N 124.44 8.304 R132HE-NE 84.347 7.526 F134H-N 112.692 6.294 A135H-N 118.627 7.927 F136H-N 113.881 8.875 V137H-N 124.575 8.633 T138H-N 122.181 8.637 F139H-N 128.278 9.322 A140H-N 119.875 8.079 D141H-N 116.857 8.245 D142H-N 123.974 8.76 Q143H-N 119.676 8.633 Q143HE21-NE2 112.823 7.623 Q143HE22-NE2 112.823 6.72 I144H-N 121.008 7.321 A145H-N 121.786 7.19 Q146H-N 113.431 7.865 Q146HE21-NE2 112.231 7.242 Q146HE22-NE2 112.231 6.916 S147H-N 113.889 7.528 L148H-N 119.968 7.053 C149H-N 116.451 7.111 G150H-N 114.865 8.848 E151H-N 119.233 7.666 D152H-N 119.142 8.299 L153H-N 123.959 8.734 I154H-N 119.836 8.148 I155H-N 127.535 8.686 K156H-N 125.324 8.965 G157H-N 101.56 7.759 I158H-N 122.717 7.935 S159H-N 117.296 7.821 V160H-N 127.57 9.376 H161H-N 117.506 7.822 I162H-N 128.178 7.973 S163H-N 121.665 9.428 N164H-N 118.11 8.48 N164HD21-ND2 114.367 7.754 N164HD22-ND2 114.367 7.186 A165H-N 124.718 8.725 E166H-N 126.444 8.493 K168H-N 121.602 8.242 S171H-N 116.923 8.263 N172H-N 120.415 8.388 R173H-N 121.45 8.095 R173HE-NE 84.232 7.015 Q174H-N 126.5 7.919 Q174HE21-NE2 112.231 7.403 Q174HE22-NE2 112.231 6.705