Assignment w1 w2 A4H-N 124.828 8.382 D5H-N 119.418 8.312 K6H-N 121.604 8.274 R7H-N 121.611 8.43 G8H-N 109.606 8.473 D9H-N 120.187 8.296 G10H-N 108.816 8.458 L11H-N 121.195 8.137 H12H-N 119.387 8.27 G13H-N 109.899 8.276 I14H-N 119.597 7.962 V15H-N 127.578 9.011 S16H-N 118.596 8.242 C17H-N 123.783 8.894 T18H-N 121.703 8.788 A19H-N 131.364 9.68 C20H-N 115.498 8.47 G21H-N 112.464 7.884 Q22H-N 121.784 8.723 Q22HE21-NE2 113.588 6.927 Q22HE22-NE2 113.588 7.791 Q23H-N 122.9 8.721 Q23HE21-NE2 111.615 6.902 Q23HE22-NE2 111.615 7.698 V24H-N 121.0 8.689 N25H-N 121.392 8.635 N25HD21-ND2 111.143 6.972 N25HD22-ND2 111.143 7.563 Q28H-N 119.3 7.494 K29H-N 124.516 8.779 D30H-N 116.5 8.556 S31H-N 111.505 7.933 I32H-N 113.394 7.105 Y33H-N 119.098 8.954 R34H-N 118.502 8.412 H35H-N 126.596 9.813 S37H-N 110.003 8.934 L38H-N 120.959 8.649 Q39H-N 108.6 8.465 Q39HE21-NE2 112.099 6.584 Q39HE22-NE2 112.099 7.042 V40H-N 105.325 6.256 L41H-N 123.1 9.154 I42H-N 124.396 9.766 C43H-N 121.5 9.882 K44H-N 117.995 8.089 N45H-N 119.2 8.356 N45HD21-ND2 114.154 7.087 N45HD22-ND2 114.154 7.969 C46H-N 126.6 9.189 F47H-N 121.962 8.826 K48H-N 117.4 8.512 Y49H-N 120.4 8.133 Y50H-N 121.783 8.765 M51H-N 110.8 7.771 S52H-N 116.8 7.581 D53H-N 117.4 7.085 D54H-N 119.405 8.439 I55H-N 124.698 8.128 S56H-N 126.703 8.815 R57H-N 116.885 8.365 D58H-N 121.982 8.706 S59H-N 114.164 8.687 D60H-N 120.899 8.193 G61H-N 108.3 8.234 M62H-N 120.002 8.376 D63H-N 127.3 9.368 E64H-N 114.4 8.583 Q65H-N 115.5 7.158 C66H-N 122.6 8.248 R67H-N 130.363 9.145 W68H-N 124.2 9.689 W68HE1-NE1 126.506 10.12 C69H-N 116.297 8.822 A70H-N 123.112 8.787 E71H-N 118.3 8.541 G72H-N 111.995 9.837 G73H-N 106.6 7.772 N74H-N 124.277 8.876 L75H-N 123.05 8.901 I76H-N 123.552 9.406 C77H-N 124.637 8.809 C78H-N 125.697 8.579 D79H-N 123.6 8.577 F80H-N 122.1 10.432 C81H-N 124.3 8.476 H82H-N 112.598 6.699 N83H-N 123.6 9.097 N83HD21-ND2 119.113 6.139 N83HD22-ND2 119.113 8.762 A84H-N 122.0 9.885 F85H-N 116.707 9.45 C86H-N 126.682 11.309 K87H-N 117.865 8.23 K88H-N 117.949 7.945 C89H-N 125.305 9.297 I90H-N 119.687 7.997 L91H-N 120.28 8.81 R92H-N 116.901 8.086 N93H-N 111.2 7.136 N93HD21-ND2 115.2 5.891 N93HD22-ND2 115.2 7.652 L94H-N 118.807 8.515 G95H-N 108.0 7.955 R96H-N 117.797 8.559 K97H-N 120.9 8.655 E98H-N 122.0 7.705 L99H-N 117.4 7.285 S100H-N 112.1 8.326 T101H-N 118.151 7.972 I102H-N 120.1 7.868 M103H-N 114.876 7.606 D104H-N 119.976 7.444 E105H-N 124.388 8.559 N106H-N 117.201 8.673 N106HD21-ND2 114.7 7.035 N106HD22-ND2 114.7 7.911 N107H-N 117.9 7.956 N107HD21-ND2 113.6 7.054 N107HD22-ND2 113.6 7.775 Q108H-N 121.5 8.493 Q108HE21-NE2 112.296 6.792 Q108HE22-NE2 112.296 7.528 W109H-N 128.056 10.497 W109HE1-NE1 133.231 10.379 Y110H-N 126.6 7.545 C111H-N 124.622 8.586 I113H-N 119.504 9.16 C114H-N 124.1 7.818 H115H-N 117.127 8.953 E117H-N 123.504 8.402 L119H-N 112.296 8.09 L120H-N 121.388 7.823 D121H-N 118.6 8.694 L122H-N 123.192 8.013 V123H-N 126.898 8.781 T124H-N 117.5 8.722 A125H-N 124.7 8.239 C126H-N 119.276 8.128 N127H-N 118.0 8.725 N127HD21-ND2 111.995 6.992 N127HD22-ND2 111.995 7.891 S128H-N 116.601 8.542 V129H-N 123.272 7.99 F130H-N 118.594 8.19 E131H-N 120.905 8.699 N132H-N 117.997 8.082 N132HD21-ND2 113.017 6.967 N132HD22-ND2 113.017 7.912 L133H-N 120.8 7.904 E134H-N 118.2 8.157 Q135H-N 117.4 7.869 Q135HE21-NE2 112.088 6.918 Q135HE22-NE2 112.088 7.62 L136H-N 121.0 7.968 L137H-N 118.9 8.154 Q138H-N 117.993 7.896 Q139H-N 118.889 8.091 N140H-N 118.604 8.273 K141H-N 121.685 8.089 K142H-N 128.09 8.024