Assignment w1 w2 H4H-N 124.648 8.834 I6H-N 120.167 8.165 F7H-N 123.119 8.0 R9H-N 113.848 8.325 G10H-N 109.953 8.169 E11H-N 119.866 7.997 F12H-N 117.447 8.447 S13H-N 115.466 8.503 V14H-N 117.117 7.375 C15H-N 114.915 6.961 D16H-N 125.548 7.713 S17H-N 117.722 8.679 V18H-N 118.819 8.589 S19H-N 122.577 8.369 V20H-N 121.033 8.681 W21H-N 122.392 8.348 W21HE1-NE1 129.15 9.866 V22H-N 126.203 9.863 G23H-N 115.79 8.968 D24H-N 119.95 8.052 K25H-N 122.328 8.474 T26H-N 115.884 8.599 T27H-N 116.187 7.797 A28H-N 123.18 8.638 T29H-N 115.313 8.751 D30H-N 125.402 9.187 I31H-N 116.897 7.613 K32H-N 120.657 7.809 G33H-N 108.491 8.069 K34H-N 124.314 8.583 E35H-N 124.266 8.384 V36H-N 119.346 9.067 M37H-N 119.403 8.182 V38H-N 125.68 8.114 L39H-N 126.554 7.305 G40H-N 110.447 7.864 E41H-N 113.018 7.447 V42H-N 118.659 8.375 N43H-N 123.316 7.936 N43HD21-ND2 110.303 6.546 N43HD22-ND2 110.303 7.138 I44H-N 124.182 8.521 N45H-N 116.913 7.807 N45HD21-ND2 111.721 7.56 N45HD22-ND2 111.721 6.879 N46H-N 111.164 8.36 N46HD21-ND2 113.072 7.448 N46HD22-ND2 113.072 6.795 S47H-N 115.891 7.74 V48H-N 123.129 8.133 F49H-N 121.621 8.507 K50H-N 115.329 8.381 Q51H-N 119.955 8.591 Q51HE21-NE2 112.634 8.282 Q51HE22-NE2 112.634 7.34 Y52H-N 124.99 8.739 F53H-N 116.905 8.809 F54H-N 127.265 8.986 E55H-N 127.316 8.378 T56H-N 120.277 7.559 K57H-N 117.998 8.095 C58H-N 116.528 7.929 D60H-N 121.192 7.957 N62H-N 118.794 8.111 G67H-N 113.154 7.702 C68H-N 118.699 8.375 R69H-N 124.987 8.727 G70H-N 106.278 8.026 I71H-N 117.889 6.403 D72H-N 123.957 8.894 S73H-N 124.333 8.225 K74H-N 120.535 7.955 H75H-N 111.768 6.797 W76H-N 118.67 7.648 W76HE1-NE1 128.166 10.33 N77H-N 121.227 9.191 N77HD21-ND2 114.122 7.405 N77HD22-ND2 114.122 6.99 S78H-N 113.933 8.401 Y79H-N 114.597 8.268 C80H-N 119.177 9.059 T81H-N 119.862 9.465 T82H-N 121.319 7.854 T83H-N 117.526 8.36 H84H-N 116.617 7.496 T85H-N 114.252 8.704 F86H-N 118.215 7.518 V87H-N 117.414 9.26 K88H-N 118.647 7.816 A89H-N 124.512 8.07 L90H-N 117.242 7.444 M92H-N 118.369 8.753 D93H-N 125.137 7.626 G94H-N 105.545 7.943 K95H-N 117.49 8.423 Q96H-N 118.327 8.613 Q96HE21-NE2 112.065 7.481 Q96HE22-NE2 112.065 6.776 A97H-N 130.613 8.742 A98H-N 123.58 8.982 W99H-N 117.92 8.207 W99HE1-NE1 129.18 10.035 R100H-N 124.515 7.714 F101H-N 120.346 9.506 I102H-N 116.028 9.315 R103H-N 121.927 8.438 I104H-N 122.169 8.233 D105H-N 128.167 8.735 T106H-N 115.873 9.137 A107H-N 121.942 7.4 C108H-N 119.731 8.338 V109H-N 121.054 9.227 V111H-N 130.812 8.85 L112H-N 121.762 8.39 S113H-N 111.205 8.513 R114H-N 125.698 9.304 K115H-N 122.358 7.646 A116H-N 125.885 8.235 V117H-N 120.162 8.007 R118H-N 129.017 7.766 H4H-N 124.648 8.834 I6H-N 120.167 8.165 F7H-N 123.119 8.0 R9H-N 113.848 8.325 G10H-N 109.953 8.169 E11H-N 119.866 7.997 F12H-N 117.447 8.447 S13H-N 115.466 8.503 V14H-N 117.117 7.375 C15H-N 114.915 6.961 D16H-N 125.548 7.713 S17H-N 117.722 8.679 V18H-N 118.819 8.589 S19H-N 122.577 8.369 V20H-N 121.033 8.681 W21H-N 122.392 8.348 W21HE1-NE1 129.15 9.866 V22H-N 126.203 9.863 G23H-N 115.79 8.968 D24H-N 119.95 8.052 K25H-N 122.328 8.474 T26H-N 115.884 8.599 T27H-N 116.187 7.797 A28H-N 123.18 8.638 T29H-N 115.313 8.751 D30H-N 125.402 9.187 I31H-N 116.897 7.613 K32H-N 120.657 7.809 G33H-N 108.491 8.069 K34H-N 124.314 8.583 E35H-N 124.266 8.384 V36H-N 119.346 9.067 M37H-N 119.403 8.182 V38H-N 125.68 8.114 L39H-N 126.554 7.305 G40H-N 110.447 7.864 E41H-N 113.018 7.447 V42H-N 118.659 8.375 N43H-N 123.316 7.936 N43HD21-ND2 110.303 6.546 N43HD22-ND2 110.303 7.138 I44H-N 124.182 8.521 N45H-N 116.913 7.807 N45HD21-ND2 111.721 7.56 N45HD22-ND2 111.721 6.879 N46H-N 111.164 8.36 N46HD21-ND2 113.072 7.448 N46HD22-ND2 113.072 6.795 S47H-N 115.891 7.74 V48H-N 123.129 8.133 F49H-N 121.621 8.507 K50H-N 115.329 8.381 Q51H-N 119.955 8.591 Q51HE21-NE2 112.634 8.282 Q51HE22-NE2 112.634 7.34 Y52H-N 124.99 8.739 F53H-N 116.905 8.809 F54H-N 127.265 8.986 E55H-N 127.316 8.378 T56H-N 120.277 7.559 K57H-N 117.998 8.095 C58H-N 116.528 7.929 D60H-N 121.192 7.957 N62H-N 118.794 8.111 G67H-N 113.154 7.702 C68H-N 118.699 8.375 R69H-N 124.987 8.727 G70H-N 106.278 8.026 I71H-N 117.889 6.403 D72H-N 123.957 8.894 S73H-N 124.333 8.225 K74H-N 120.535 7.955 H75H-N 111.768 6.797 W76H-N 118.67 7.648 W76HE1-NE1 128.166 10.33 N77H-N 121.227 9.191 N77HD21-ND2 114.122 7.405 N77HD22-ND2 114.122 6.99 S78H-N 113.933 8.401 Y79H-N 114.597 8.268 C80H-N 119.177 9.059 T81H-N 119.862 9.465 T82H-N 121.319 7.854 T83H-N 117.526 8.36 H84H-N 116.617 7.496 T85H-N 114.252 8.704 F86H-N 118.215 7.518 V87H-N 117.414 9.26 K88H-N 118.647 7.816 A89H-N 124.512 8.07 L90H-N 117.242 7.444 M92H-N 118.369 8.753 D93H-N 125.137 7.626 G94H-N 105.545 7.943 K95H-N 117.49 8.423 Q96H-N 118.327 8.613 Q96HE21-NE2 112.065 7.481 Q96HE22-NE2 112.065 6.776 A97H-N 130.613 8.742 A98H-N 123.58 8.982 W99H-N 117.92 8.207 W99HE1-NE1 129.18 10.035 R100H-N 124.515 7.714 F101H-N 120.346 9.506 I102H-N 116.028 9.315 R103H-N 121.927 8.438 I104H-N 122.169 8.233 D105H-N 128.167 8.735 T106H-N 115.873 9.137 A107H-N 121.942 7.4 C108H-N 119.731 8.338 V109H-N 121.054 9.227 V111H-N 130.812 8.85 L112H-N 121.762 8.39 S113H-N 111.205 8.513 R114H-N 125.698 9.304 K115H-N 122.358 7.646 A116H-N 125.885 8.235 V117H-N 120.162 8.007 R118H-N 129.017 7.766