Assignment w1 w2 R3H-N 123.01 8.135 I4H-N 125.144 8.437 V5H-N 128.411 8.334 K7H-N 120.967 8.813 F8H-N 110.929 7.136 T9H-N 117.55 8.573 E10H-N 125.223 8.585 I11H-N 125.712 9.122 F12H-N 128.151 9.05 V14H-N 124.109 7.796 E15H-N 113.656 8.337 D16H-N 119.986 7.445 A17H-N 127.694 8.411 N18H-N 114.451 8.608 N18HD21-ND2 114.424 7.882 N18HD22-ND2 114.424 6.923 Y19H-N 125.701 8.316 Y21H-N 125.581 8.503 S22H-N 111.671 8.215 A23H-N 124.829 7.052 F24H-N 121.429 6.933 I25H-N 117.678 7.396 A26H-N 119.299 7.934 S27H-N 113.985 7.753 V28H-N 120.06 7.851 R29H-N 117.974 8.648 K30H-N 116.143 7.544 D31H-N 119.168 7.033 V32H-N 119.691 8.074 I33H-N 120.239 8.744 K34H-N 120.073 7.248 H35H-N 116.48 8.201 C36H-N 117.815 7.455 T37H-N 112.053 9.087 D38H-N 120.233 8.178 H39H-N 125.504 9.447 G41H-N 102.322 8.431 I42H-N 122.085 7.958 F43H-N 128.12 8.828 Q44H-N 118.9 8.247 Q44HE21-NE2 108.454 7.22 Q44HE22-NE2 108.454 6.861 V46H-N 121.491 8.346 L47H-N 127.753 8.329 E50H-N 122.665 8.374 K51H-N 123.893 7.064 V53H-N 118.156 7.683 E55H-N 118.995 8.785 L56H-N 119.828 7.119 W57H-N 124.047 8.693 W57HE1-NE1 128.801 9.777 L58H-N 122.085 9.506 Y59H-N 123.449 8.63 T60H-N 110.815 8.695 E61H-N 132.666 9.763 L62H-N 128.214 8.906 K63H-N 122.839 8.374 T64H-N 117.601 9.198 R65H-N 117.703 9.969 T66H-N 105.502 8.08 S67H-N 117.781 7.981 S68H-N 111.763 7.503 I69H-N 109.809 8.041 T70H-N 116.67 7.9 L71H-N 124.89 9.224 A72H-N 123.659 8.661 I73H-N 126.165 9.318 R74H-N 125.772 8.184 M75H-N 122.866 7.998 D76H-N 112.366 8.07 N77H-N 113.939 8.009 N77HD21-ND2 107.117 6.194 N77HD22-ND2 107.117 7.411 L78H-N 116.813 8.116 Y79H-N 114.553 7.558 L80H-N 126.658 7.32 V81H-N 126.381 9.087 G82H-N 102.616 7.684 F83H-N 115.22 9.116 R84H-N 123.44 8.889 T85H-N 118.037 8.685 G88H-N 107.959 8.129 V89H-N 120.783 6.858 W90H-N 126.277 8.391 W90HE1-NE1 128.673 10.393 W91H-N 123.955 9.017 W91HE1-NE1 126.878 9.35 E92H-N 123.358 8.935 F93H-N 125.114 8.645 G94H-N 112.051 8.011 K95H-N 115.347 7.321 D96H-N 116.249 7.739 G97H-N 102.352 8.455 D98H-N 122.318 7.794 T99H-N 117.032 8.677 H100H-N 126.802 9.193 L102H-N 115.474 7.213 G103H-N 104.353 6.385 D104H-N 112.367 7.969 N105H-N 112.736 8.314 N105HD21-ND2 113.124 6.726 N105HD22-ND2 113.124 7.465 R107H-N 118.406 8.427 W108H-N 121.082 8.46 W108HE1-NE1 128.414 9.899 L109H-N 120.011 9.187 G110H-N 103.367 8.544 F111H-N 114.557 7.16 G112H-N 107.017 8.472 G113H-N 99.538 7.554 R114H-N 117.83 8.013 D117H-N 116.564 6.996 L118H-N 116.543 7.69 I119H-N 109.499 8.896 G120H-N 112.477 7.351 K122H-N 120.102 7.438 G123H-N 105.551 8.337 L124H-N 122.394 9.162 E125H-N 121.392 10.28 T126H-N 109.032 7.378 V127H-N 123.378 7.33 T128H-N 122.793 8.48 M129H-N 121.876 8.945 G130H-N 104.352 6.913 R131H-N 122.71 8.38 A132H-N 123.817 8.417 E133H-N 116.363 7.739 M134H-N 119.977 8.643 T135H-N 116.949 8.352 R136H-N 118.691 7.688 A137H-N 119.03 7.822 V138H-N 116.602 8.042 N139H-N 115.508 7.951 N139HD21-ND2 109.775 7.419 N139HD22-ND2 109.775 7.107 D140H-N 118.984 8.187 L141H-N 122.328 8.258 A142H-N 117.897 8.203 K143H-N 113.93 7.065 K144H-N 122.33 7.557 A152H-N 124.894 9.714 D153H-N 120.037 7.785 K155H-N 120.012 8.397 S156H-N 112.099 7.612 K157H-N 117.86 7.507 L158H-N 117.044 8.202 V159H-N 118.382 8.648 K160H-N 119.495 7.022 L161H-N 116.159 7.183 V162H-N 121.102 8.686 V163H-N 116.46 8.251 M164H-N 112.033 8.077 V165H-N 114.443 8.784 C166H-N 117.277 7.388 E167H-N 114.246 8.276 G168H-N 105.444 7.157 L169H-N 118.353 7.731 R170H-N 113.992 7.336 F171H-N 113.667 8.811 N172H-N 122.558 8.271 N172HD21-ND2 112.148 7.092 N172HD22-ND2 112.148 6.684 T173H-N 108.54 7.972 V174H-N 119.008 6.609 S175H-N 114.692 8.46 R176H-N 121.291 8.362 T177H-N 117.87 7.554 V178H-N 120.979 8.806 D179H-N 116.641 8.038 A180H-N 118.351 7.775 G181H-N 101.632 7.419 F182H-N 124.181 7.878 N183H-N 112.088 7.738 N183HD21-ND2 113.827 7.633 N183HD22-ND2 113.827 7.485 S184H-N 115.841 7.566 Q185H-N 118.752 7.604 Q185HE21-NE2 111.279 6.796 Q185HE22-NE2 111.279 7.415 G187H-N 107.572 7.422 V188H-N 116.165 8.387 T189H-N 113.695 7.795 L190H-N 119.192 9.453 T191H-N 109.245 8.566 V192H-N 119.857 8.654 T193H-N 115.648 8.099 Q194H-N 119.924 7.79 Q194HE21-NE2 109.839 6.709 Q194HE22-NE2 109.839 7.296 G195H-N 105.577 8.67 K196H-N 119.606 7.64 Q197H-N 115.365 7.439 Q197HE21-NE2 107.567 6.628 Q197HE22-NE2 107.567 7.498 V198H-N 117.762 7.75 Q199H-N 115.352 7.562 Q199HE21-NE2 110.637 7.087 Q199HE22-NE2 110.637 6.565 K200H-N 118.714 7.702 W201H-N 121.53 7.833 W201HE1-NE1 128.199 10.03 R203H-N 122.359 7.894 I204H-N 123.098 9.09 S205H-N 116.484 8.278 K206H-N 120.807 7.668 A207H-N 122.969 8.004 A208H-N 119.466 8.23 F209H-N 117.1 7.552 E210H-N 124.211 8.158 W211H-N 118.014 8.915 W211HE1-NE1 130.495 10.572 A212H-N 123.064 7.453 D213H-N 114.425 7.163 H214H-N 116.705 7.913 T216H-N 105.575 7.856 A217H-N 125.247 7.831 V218H-N 125.276 8.693 I219H-N 128.629 8.699 M222H-N 114.988 7.544 Q223H-N 122.544 8.002 Q223HE21-NE2 111.574 7.543 Q223HE22-NE2 111.574 6.809 K224H-N 118.145 8.07 L225H-N 117.159 7.178 G226H-N 107.162 7.891 I227H-N 121.263 7.834 K228H-N 123.466 8.609 D229H-N 112.165 7.156 K230H-N 116.051 7.507 N231H-N 120.371 7.792 N231HD21-ND2 113.37 6.8 N231HD22-ND2 113.37 7.6 E232H-N 122.48 8.353 A233H-N 120.24 7.921 A234H-N 119.691 7.559 R235H-N 115.385 7.315 I236H-N 119.302 7.583 V237H-N 120.563 8.499 A238H-N 128.235 9.2 L239H-N 116.575 7.276 V240H-N 116.081 7.876 K241H-N 123.42 7.215 N242H-N 125.296 8.566 N242HD21-ND2 112.557 7.208 N242HD22-ND2 112.557 7.397 Q243H-N 122.114 7.014 Q243HE21-NE2 112.538 6.978 Q243HE22-NE2 112.538 6.486 T244H-N 115.745 8.099 T245H-N 116.655 8.056 A246H-N 126.57 8.242 A247H-N 124.233 8.163 A248H-N 128.834 7.78