Assignment w1 w2 A2H-N 124.455 8.346 D3H-N 119.698 8.278 E4H-N 121.009 8.318 E5H-N 121.971 8.334 K6H-N 124.052 8.273 L7H-N 125.082 8.554 G10H-N 112.0 8.746 W11H-N 117.381 7.391 W11HE1-NE1 129.194 10.486 E12H-N 120.65 9.769 K13H-N 124.542 8.825 R14H-N 126.392 8.717 M15H-N 117.098 8.126 S16H-N 121.262 9.15 S18H-N 113.172 8.657 G20H-N 112.268 7.978 R21H-N 119.241 7.505 V22H-N 124.823 8.483 Y23H-N 121.45 8.718 Y24H-N 116.99 8.977 F25H-N 125.095 9.431 N26H-N 129.138 8.106 N26HD21-ND2 109.594 6.422 N26HD22-ND2 109.594 4.055 H27H-N 120.521 8.041 I28H-N 121.676 8.334 T29H-N 107.735 7.341 N30H-N 117.33 7.874 N30HD21-ND2 111.672 7.655 N30HD22-ND2 111.672 6.717 A31H-N 121.047 7.047 S32H-N 112.181 8.146 Q33H-N 117.528 9.402 Q33HE21-NE2 112.865 6.647 Q33HE22-NE2 112.865 7.45 W34H-N 121.11 8.649 W34HE1-NE1 128.733 9.947 E35H-N 116.671 8.199 R36H-N 125.138 8.447 S38H-N 114.757 8.081 G39H-N 110.448 8.477 N40H-N 118.519 8.423 N40HD21-ND2 112.953 6.937 N40HD22-ND2 112.953 6.937 S41H-N 116.618 8.417 S42H-N 117.605 8.354 S43H-N 117.958 8.444 G44H-N 110.689 8.395 G45H-N 108.653 8.241 K46H-N 121.242 8.154 N47H-N 125.477 8.071 N47HD21-ND2 112.815 7.598 N47HD22-ND2 112.815 7.598 G48H-N 114.189 8.316 Q49H-N 119.686 8.419 Q49HE21-NE2 112.412 7.522 Q49HE22-NE2 112.412 7.522 G50H-N 110.063 8.415 E51H-N 122.018 8.249 A53H-N 122.585 8.597 R54H-N 115.197 7.692 V55H-N 113.706 7.842 R56H-N 120.691 8.182 C57H-N 117.617 7.2 S58H-N 116.503 9.351 H59H-N 120.027 9.781 L60H-N 125.227 8.933 L61H-N 127.195 8.107 V62H-N 128.284 9.509 K63H-N 125.52 9.122 H64H-N 114.103 8.339 S65H-N 113.733 9.492 Q66H-N 120.482 9.182 Q66HE21-NE2 112.395 7.615 Q66HE22-NE2 112.395 7.615 S67H-N 121.372 7.85 R68H-N 121.82 8.301 R69H-N 118.889 8.384 S71H-N 121.312 9.141 S72H-N 119.071 8.95 W73H-N 118.8 8.564 W73HE1-NE1 132.792 9.994 R74H-N 117.851 7.032 Q75H-N 118.439 6.87 Q75HE21-NE2 110.947 7.402 Q75HE22-NE2 110.947 7.402 K77H-N 117.719 7.996 I78H-N 126.205 7.799 T79H-N 116.368 8.164 R80H-N 123.878 7.569 T81H-N 113.487 8.995 K82H-N 122.446 8.836 E83H-N 118.348 8.533 E84H-N 121.794 7.943 A85H-N 122.269 8.643 L86H-N 120.243 8.182 E87H-N 119.298 7.668 L88H-N 121.229 7.747 I89H-N 120.177 8.032 N90H-N 118.884 8.711 N90HD21-ND2 109.753 7.247 N90HD22-ND2 109.753 7.247 G91H-N 109.969 7.956 Y92H-N 122.846 8.086 I93H-N 118.83 8.644 Q94H-N 117.568 7.792 Q94HE21-NE2 111.976 6.884 Q94HE22-NE2 111.976 7.463 K95H-N 120.21 8.058 I96H-N 119.949 8.17 K97H-N 120.744 9.046 S98H-N 111.698 8.147 G99H-N 110.231 7.81 E100H-N 121.692 8.256 E101H-N 114.292 7.376 D102H-N 118.588 8.346 F103H-N 122.311 9.106 E104H-N 116.68 8.976 S105H-N 115.996 8.06 L106H-N 120.768 7.679 A107H-N 122.596 8.781 S108H-N 108.438 7.687 Q109H-N 115.097 6.853 Q109HE21-NE2 111.166 6.705 Q109HE22-NE2 111.166 6.964 F110H-N 112.526 8.123 S111H-N 111.4 7.84 D112H-N 124.719 9.926 C113H-N 123.29 8.121 S114H-N 127.431 8.882 S115H-N 123.527 9.849 A116H-N 132.268 8.559 K117H-N 113.827 7.032 A118H-N 124.299 7.731 R119H-N 115.055 8.061 G120H-N 103.381 8.306 D121H-N 118.685 7.158 L122H-N 125.708 8.752 G123H-N 108.733 8.285 A124H-N 119.205 8.098 F125H-N 117.822 8.933 S126H-N 113.707 8.467 R127H-N 121.426 8.927 G128H-N 112.429 10.232 Q129H-N 118.941 7.834 Q129HE21-NE2 112.027 6.998 Q129HE22-NE2 112.027 6.998 M130H-N 118.105 9.068 Q131H-N 118.388 8.437 Q131HE21-NE2 111.785 7.019 Q131HE22-NE2 111.785 7.019 K132H-N 126.156 9.169 F134H-N 115.994 6.909 E135H-N 123.198 8.756 D136H-N 118.603 9.155 A137H-N 118.679 7.096 S138H-N 113.278 7.885 F139H-N 114.258 8.097 A140H-N 119.659 7.08 L141H-N 120.885 6.943 R142H-N 122.109 8.906 T143H-N 116.867 8.466 G144H-N 115.558 8.942 E145H-N 121.991 8.184 M146H-N 122.756 8.223 S147H-N 123.206 9.673 G148H-N 103.152 7.716 V150H-N 126.995 9.195 F151H-N 127.975 9.113 T152H-N 112.525 9.064 D153H-N 117.82 8.963 S154H-N 114.741 9.054 G155H-N 110.35 7.676 I156H-N 123.319 8.294 H157H-N 124.592 9.918 I158H-N 116.037 8.567 I159H-N 125.826 8.872 L160H-N 128.869 8.809 R161H-N 127.509 8.082 T162H-N 120.765 9.084 E163H-N 126.225 7.959