Assignment w1 w2 S2H-N 110.528 8.379 T3H-N 120.854 7.856 H4H-N 124.906 9.042 V6H-N 119.912 8.196 F7H-N 123.336 8.154 H8H-N 122.658 8.238 M9H-N 121.186 8.301 G10H-N 110.525 8.466 E11H-N 119.74 8.028 F12H-N 118.338 8.537 S13H-N 115.531 8.534 V14H-N 116.479 7.216 C15H-N 114.284 7.04 D16H-N 125.525 7.811 S17H-N 118.963 8.934 V18H-N 119.594 8.661 S19H-N 123.331 8.509 V20H-N 121.143 8.739 W21H-N 122.418 8.437 W21HE1-NE1 129.155 9.868 V22H-N 126.159 9.954 G23H-N 115.86 9.107 D24H-N 120.535 8.12 K25H-N 123.022 8.537 T26H-N 116.162 8.61 T27H-N 116.492 7.877 A28H-N 124.266 8.777 T29H-N 116.147 8.858 D30H-N 126.156 9.358 I31H-N 117.42 7.713 K32H-N 121.152 7.872 G33H-N 108.655 8.18 K34H-N 124.277 8.679 E35H-N 124.297 8.466 V36H-N 118.977 9.147 T37H-N 117.399 8.403 V38H-N 128.028 8.326 L39H-N 127.407 7.267 A40H-N 124.579 8.512 E41H-N 113.348 7.581 V42H-N 119.278 8.538 N43H-N 123.34 7.978 N43HD21-ND2 110.598 7.242 N43HD22-ND2 110.598 6.667 I44H-N 123.976 8.583 N45H-N 117.111 8.05 N45HD21-ND2 112.353 7.661 N45HD22-ND2 112.353 7.01 N46H-N 111.795 8.513 N46HD21-ND2 113.188 7.546 N46HD22-ND2 113.188 6.886 S47H-N 116.234 7.875 V48H-N 123.34 8.278 F49H-N 121.675 8.668 R50H-N 122.254 8.295 Q51H-N 119.335 8.235 Q51HE21-NE2 113.212 8.518 Q51HE22-NE2 113.212 7.421 Y52H-N 126.466 9.007 F53H-N 116.799 8.813 F54H-N 127.511 9.06 E55H-N 127.727 8.497 T56H-N 120.838 7.678 K57H-N 118.346 8.194 C58H-N 116.171 8.05 R59H-N 122.977 8.309 A60H-N 122.1 8.409 N62H-N 112.295 7.876 N62HD21-ND2 112.064 6.852 N62HD22-ND2 112.064 7.215 V64H-N 110.228 7.661 E65H-N 120.861 8.546 S66H-N 109.598 7.722 G67H-N 112.408 7.86 C68H-N 119.417 8.49 R69H-N 124.603 8.883 G70H-N 106.794 8.195 I71H-N 118.183 6.417 D72H-N 123.964 8.955 S73H-N 124.899 8.317 K74H-N 120.846 7.999 H75H-N 111.803 6.947 W76H-N 118.977 7.8 W76HE1-NE1 128.324 10.432 N77H-N 121.796 9.29 N77HD21-ND2 114.357 7.516 N77HD22-ND2 114.357 7.093 S78H-N 113.973 8.771 Y79H-N 114.283 8.319 C80H-N 119.506 9.159 T81H-N 119.907 9.525 T82H-N 120.867 7.918 T83H-N 117.194 8.395 H84H-N 116.791 7.616 T85H-N 114.317 8.777 F86H-N 118.129 7.669 V87H-N 117.623 9.317 K88H-N 127.686 9.11 A89H-N 126.16 8.31 L90H-N 123.079 8.211 T92H-N 111.79 9.071 D93H-N 125.21 7.658 E94H-N 119.292 8.997 K95H-N 117.081 8.468 Q96H-N 118.66 8.633 Q96HE21-NE2 112.169 7.558 Q96HE22-NE2 112.169 6.85 A97H-N 130.225 8.751 A98H-N 123.339 9.053 W99H-N 117.414 8.301 W99HE1-NE1 129.602 10.14 R100H-N 124.895 7.806 F101H-N 120.553 9.245 I102H-N 116.472 9.416 R103H-N 122.176 8.474 I104H-N 122.791 8.298 D105H-N 128.66 8.886 T106H-N 115.844 9.214 A107H-N 121.885 7.486 C108H-N 119.61 8.448 V109H-N 120.845 9.358 C110H-N 119.289 7.536 V111H-N 131.783 8.994 L112H-N 121.655 8.411 S113H-N 111.489 8.607 R114H-N 126.216 9.306 K115H-N 122.407 7.68 A116H-N 126.173 8.391 T117H-N 114.276 8.117 R118H-N 127.726 7.906 S2H-N 110.528 8.379 T3H-N 120.854 7.856 H4H-N 124.906 9.042 V6H-N 119.912 8.196 F7H-N 123.336 8.154 H8H-N 122.658 8.238 M9H-N 121.186 8.301 G10H-N 110.525 8.466 E11H-N 119.74 8.028 F12H-N 118.338 8.537 S13H-N 115.531 8.534 V14H-N 116.479 7.216 C15H-N 114.284 7.04 D16H-N 125.525 7.811 S17H-N 118.963 8.934 V18H-N 119.594 8.661 S19H-N 123.331 8.509 V20H-N 121.143 8.739 W21H-N 122.418 8.437 W21HE1-NE1 129.155 9.868 V22H-N 126.159 9.954 G23H-N 115.86 9.107 D24H-N 120.535 8.12 K25H-N 122.022 8.537 T26H-N 116.162 8.61 T27H-N 116.492 7.877 A28H-N 124.266 8.777 T29H-N 116.147 8.858 D30H-N 126.156 9.358 I31H-N 117.42 7.713 K32H-N 121.152 7.872 G33H-N 108.655 8.18 K34H-N 124.277 8.679 E35H-N 124.297 8.466 V36H-N 118.977 9.147 T37H-N 117.399 8.403 V38H-N 128.028 8.326 L39H-N 127.407 7.267 A40H-N 124.579 8.512 E41H-N 113.348 7.581 V42H-N 119.278 8.538 N43H-N 123.34 7.978 N43HD21-ND2 110.598 7.242 N43HD22-ND2 110.598 6.667 I44H-N 123.976 8.583 N45H-N 117.111 8.05 N45HD21-ND2 112.353 7.661 N45HD22-ND2 112.353 7.01 N46H-N 111.795 8.513 N46HD21-ND2 113.188 7.546 N46HD22-ND2 113.188 6.886 S47H-N 116.234 7.875 V48H-N 123.34 8.278 F49H-N 121.675 8.668 R50H-N 122.254 8.295 Q51H-N 119.335 8.235 Q51HE21-NE2 113.212 8.518 Q51HE22-NE2 113.212 7.421 Y52H-N 126.466 9.007 F53H-N 116.799 8.813 F54H-N 127.511 9.06 E55H-N 127.727 8.497 T56H-N 120.838 7.678 K57H-N 118.346 8.194 C58H-N 116.171 8.05 R59H-N 122.977 8.309 A60H-N 122.1 8.409 N62H-N 112.295 7.876 N62HD21-ND2 112.064 6.852 N62HD22-ND2 112.064 7.215 V64H-N 110.228 7.661 E65H-N 120.861 8.546 S66H-N 109.598 7.722 G67H-N 112.408 7.86 C68H-N 119.417 8.49 R69H-N 124.603 8.883 G70H-N 106.794 8.195 I71H-N 118.183 6.417 D72H-N 123.964 8.955 S73H-N 124.899 8.317 K74H-N 120.846 7.999 H75H-N 111.803 6.947 W76H-N 118.977 7.8 W76HE1-NE1 128.324 10.432 N77H-N 121.796 9.29 N77HD21-ND2 114.357 7.516 N77HD22-ND2 114.357 7.093 S78H-N 113.973 8.771 Y79H-N 114.283 8.319 C80H-N 119.506 9.159 T81H-N 119.907 9.525 T82H-N 120.867 7.918 T83H-N 117.194 8.395 H84H-N 116.791 7.616 T85H-N 114.317 8.777 F86H-N 118.129 7.669 V87H-N 117.623 9.317 K88H-N 127.686 9.11 A89H-N 126.16 8.31 L90H-N 123.079 8.211 T92H-N 111.79 9.071 D93H-N 125.21 7.658 E94H-N 119.292 8.997 K95H-N 117.081 8.468 Q96H-N 118.66 8.633 Q96HE21-NE2 112.169 7.558 Q96HE22-NE2 112.169 6.85 A97H-N 130.225 8.751 A98H-N 123.339 9.053 W99H-N 117.414 8.301 W99HE1-NE1 129.602 10.14 R100H-N 124.895 7.806 F101H-N 120.553 9.245 I102H-N 116.472 9.416 R103H-N 122.176 8.474 I104H-N 122.791 8.298 D105H-N 128.66 8.886 T106H-N 115.844 9.214 A107H-N 121.885 7.486 C108H-N 119.61 8.448 V109H-N 120.845 9.358 C110H-N 119.289 7.536 V111H-N 131.783 8.994 L112H-N 121.655 8.411 S113H-N 111.489 8.607 R114H-N 126.216 9.306 K115H-N 122.407 7.68 A116H-N 126.173 8.391 T117H-N 114.276 8.117 R118H-N 127.726 7.906