Assignment w1 w2 A5H-N 124.95 8.296 S6H-N 114.605 8.226 M7H-N 122.033 8.266 D8H-N 124.298 8.548 A10H-N 122.455 8.43 E11H-N 119.955 8.013 A12H-N 123.193 8.187 A13H-N 121.245 8.065 E14H-N 120.755 8.078 K15H-N 119.555 8.204 A20H-N 122.994 8.138 E21H-N 119.122 8.209 L25H-N 122.813 8.072 I26H-N 119.857 8.287 N27H-N 118.966 8.149 N27HD21-ND2 113.045 7.77 N27HD22-ND2 113.045 7.062 F28H-N 122.235 8.417 Y29H-N 115.54 7.981 E30H-N 120.286 8.581 T31H-N 106.632 7.72 F32H-N 124.407 7.204 Q33H-N 129.573 7.775 Q33HE21-NE2 113.001 7.573 Q33HE22-NE2 113.001 6.946 I35H-N 119.408 8.867 I36H-N 125.677 7.868 F37H-N 124.119 8.602 S38H-N 118.497 9.649 T39H-N 113.99 8.368 A40H-N 123.229 8.371 C41H-N 118.419 8.305 E42H-N 123.03 8.897 Q43H-N 118.084 7.69 E44H-N 124.189 8.78 G45H-N 110.714 8.944 V46H-N 120.541 7.698 A47H-N 121.172 7.931 N48H-N 115.737 8.683 N48HD21-ND2 117.199 6.682 N48HD22-ND2 117.199 7.577 W49H-N 117.387 9.187 W49HE1-NE1 129.676 10.238 R50H-N 124.384 7.008 N51H-N 119.653 8.367 N51HD21-ND2 106.743 7.094 N51HD22-ND2 106.743 6.551 I52H-N 124.534 8.311 T53H-N 117.555 7.579 E54H-N 120.812 8.003 A55H-N 122.849 8.252 L56H-N 120.161 8.579 L57H-N 120.076 7.033 K58H-N 118.962 8.534 Q59H-N 114.424 9.136 Q59HE21-NE2 111.519 7.205 Q59HE22-NE2 111.519 7.605 H60H-N 112.855 6.846 N61H-N 117.48 7.724 N61HD21-ND2 111.485 7.55 N61HD22-ND2 111.485 6.756 V62H-N 110.01 7.379 H63H-N 123.131 8.826 A64H-N 128.647 8.048 Y66H-N 112.608 6.651 C67H-N 127.654 7.83 R68H-N 122.246 9.155 F69H-N 125.348 9.478 G70H-N 118.087 8.648 K71H-N 128.407 8.97 L72H-N 114.009 8.023 E73H-N 115.196 6.632 G74H-N 107.758 8.275 N75H-N 115.027 8.366 N75HD21-ND2 109.672 7.24 N75HD22-ND2 109.672 6.483 F76H-N 113.683 8.243 A77H-N 121.391 8.711 L78H-N 115.43 8.446 N79H-N 117.207 9.06 K80H-N 132.602 9.663 D81H-N 115.517 7.811 K82H-N 114.667 7.175 T83H-N 117.681 7.188 S84H-N 123.402 8.432 Q85H-N 121.422 9.023 Q85HE21-NE2 116.253 6.8 Q85HE22-NE2 116.253 8.066 E86H-N 116.889 8.64 V87H-N 121.659 7.459 I88H-N 120.984 7.755 D89H-N 117.245 8.799 Q90H-N 120.397 7.698 Q90HE21-NE2 114.19 6.86 Q90HE22-NE2 114.19 8.571 L91H-N 120.722 8.183 V92H-N 116.236 8.119 Q93H-N 118.885 8.254 Q93HE21-NE2 112.089 7.69 Q93HE22-NE2 112.089 6.82 D94H-N 117.1 8.448 G95H-N 109.554 8.278 L96H-N 120.295 8.877 Q97H-N 123.429 8.921 Q97HE21-NE2 111.97 6.699 Q97HE22-NE2 111.97 7.476 F98H-N 127.224 8.586 G99H-N 113.846 8.767 E100H-N 126.895 9.073 S101H-N 116.274 7.985 K102H-N 122.478 8.635 V103H-N 125.901 9.097 T104H-N 119.226 8.964 I105H-N 121.586 9.228 K106H-N 123.528 8.692 V107H-N 124.389 8.865 S108H-N 125.82 8.305 E109H-N 125.061 8.391 G110H-N 109.29 8.971 E111H-N 120.477 8.249 A112H-N 120.575 8.144 L113H-N 121.09 6.949 S114H-N 114.029 7.93 K115H-N 121.802 8.556 F116H-N 119.301 7.621 W117H-N 118.689 7.583 W117HE1-NE1 127.896 9.984 E118H-N 120.449 8.139 L119H-N 117.004 8.305 H120H-N 114.936 8.212 G121H-N 110.071 7.553 R122H-N 120.33 8.263 H123H-N 123.704 7.828 Y124H-N 120.382 8.592 N125H-N 117.541 8.584 G126H-N 107.528 8.155 V127H-N 123.555 8.02 M128H-N 116.946 8.016 E129H-N 119.84 8.197 L130H-N 120.295 7.483 K131H-N 119.383 7.959 K132H-N 118.011 8.25 K133H-N 119.089 7.775 E134H-N 119.306 8.045 V135H-N 116.37 7.741 N136H-N 118.517 7.889 Q137H-N 119.742 7.924 T138H-N 120.428 7.797