Assignment w1 w2 G7H-N 110.545 8.4 M8H-N 120.825 8.107 Y10H-N 120.628 8.235 V11H-N 122.712 7.765 D12H-N 124.17 8.287 R13H-N 121.438 8.211 Q14H-N 120.086 8.37 Q14HE21-NE2 112.36 6.828 Q14HE22-NE2 112.36 7.58 N15H-N 118.602 8.34 N15HD21-ND2 112.647 7.568 N15HD22-ND2 112.647 6.837 R16H-N 121.286 8.15 R16HE-NE 84.67 7.45 I17H-N 123.161 8.1 C18H-N 119.258 7.714 G19H-N 107.148 8.47 F20H-N 117.97 8.87 L21H-N 121.886 9.311 D22H-N 118.711 7.826 I23H-N 122.103 9.688 E24H-N 130.868 8.608 D25H-N 126.959 8.62 N26H-N 122.03 8.378 N26HD21-ND2 113.194 7.665 N26HD22-ND2 113.194 6.896 E27H-N 118.906 8.51 N28H-N 118.798 7.919 N28HD21-ND2 115.116 7.847 N28HD22-ND2 115.116 6.919 S29H-N 115.724 8.191 G30H-N 113.6 9.582 K31H-N 121.604 7.94 F32H-N 122.759 8.79 L33H-N 124.224 9.228 R34H-N 125.745 8.823 R34HE-NE 84.773 7.28 R35H-N 131.171 9.625 R35HE-NE 85.218 7.85 Y36H-N 122.113 8.76 F37H-N 128.914 8.97 I38H-N 117.677 9.49 L39H-N 129.729 8.74 D40H-N 128.394 8.76 T41H-N 116.499 8.367 Q42H-N 123.15 8.549 Q42HE21-NE2 112.359 7.584 Q42HE22-NE2 112.359 6.837 A43H-N 120.605 7.961 N44H-N 116.724 7.98 N44HD21-ND2 110.195 7.577 N44HD22-ND2 110.195 6.674 C45H-N 113.948 8.371 L46H-N 125.448 8.98 L47H-N 127.766 9.22 W48H-N 115.454 7.953 W48HE1-NE1 127.052 10.053 Y49H-N 117.414 9.299 M50H-N 117.999 9.39 D51H-N 113.226 7.771 N52H-N 120.875 9.38 N52HD21-ND2 112.58 7.53 N52HD22-ND2 112.58 6.83 Q54H-N 116.705 7.899 Q54HE21-NE2 112.069 7.463 Q54HE22-NE2 112.069 6.824 N55H-N 115.65 8.3 N55HD21-ND2 111.788 7.6 N55HD22-ND2 111.788 6.837 L56H-N 120.103 7.095 A57H-N 122.693 8.224 V58H-N 121.485 8.294 G59H-N 114.715 8.839 A60H-N 123.383 7.668 G61H-N 108.681 8.455 A62H-N 123.706 8.247 V63H-N 116.765 8.71 G64H-N 110.261 6.843 S65H-N 110.607 6.95 L66H-N 123.94 9.087 Q67H-N 127.115 8.719 Q67HE21-NE2 111.55 7.275 Q67HE22-NE2 111.55 6.804 L68H-N 124.192 8.175 T69H-N 107.314 7.617 Y70H-N 118.052 7.572 I71H-N 119.527 7.54 S72H-N 123.157 9.141 K73H-N 120.653 7.662 V74H-N 126.556 8.769 S75H-N 120.102 8.835 I76H-N 123.432 8.808 A77H-N 131.018 8.525 T78H-N 114.371 8.538 K80H-N 115.656 7.679 Q81H-N 117.5 7.778 Q81HE21-NE2 111.077 7.644 Q81HE22-NE2 111.077 6.718 K82H-N 116.967 7.795 K84H-N 118.692 8.766 T85H-N 113.107 7.249 F87H-N 115.484 8.007 C88H-N 118.916 8.142 F89H-N 123.459 9.47 V90H-N 118.591 9.292 I91H-N 124.99 8.968 N92H-N 126.612 8.927 N92HD21-ND2 111.142 7.212 N92HD22-ND2 111.142 6.794 A93H-N 127.442 8.489 L94H-N 121.504 8.517 S95H-N 112.517 8.401 Q96H-N 119.21 7.685 Q96HE21-NE2 112.013 7.196 Q96HE22-NE2 112.013 6.843 R97H-N 121.162 8.163 Y98H-N 122.075 8.733 F99H-N 122.922 8.983 L100H-N 124.52 8.63 Q101H-N 119.4 9.189 Q101HE21-NE2 109.257 6.254 Q101HE22-NE2 109.257 7.111 A102H-N 128.669 8.899 N103H-N 115.728 9.975 N103HD21-ND2 116.412 6.915 N103HD22-ND2 116.412 8.223 D104H-N 112.0 7.498 Q105H-N 117.589 8.182 Q105HE21-NE2 111.097 7.52 Q105HE22-NE2 111.097 6.908 K106H-N 122.099 7.946 D107H-N 120.297 8.521 L108H-N 117.138 7.678 K109H-N 117.567 7.721 D110H-N 119.028 8.603 W111H-N 120.78 8.141 W111HE1-NE1 128.632 10.161 V112H-N 118.696 8.054 E113H-N 118.1 8.313 A114H-N 120.8 7.936 L115H-N 117.64 8.553 N116H-N 119.022 8.384 N116HD21-ND2 113.359 7.402 N116HD22-ND2 113.359 7.142 Q117H-N 118.791 8.215 Q117HE21-NE2 111.912 7.552 Q117HE22-NE2 111.912 6.824 A118H-N 119.946 7.99 S119H-N 111.425 7.76 K120H-N 121.177 7.629 S121H-N 115.639 8.099 G122H-N 110.445 8.201 S124H-N 116.4 8.529