Assignment w1 w2 R3H-N 119.384 8.252 C4H-N 126.386 8.57 Y5H-N 130.962 8.744 Y6H-N 118.277 8.388 C7H-N 114.367 7.912 N8H-N 119.914 8.367 N8HD21-ND2 112.549 7.351 N8HD22-ND2 112.549 6.647 G9H-N 110.849 8.927 I11H-N 123.486 8.261 L12H-N 127.454 8.965 D13H-N 119.785 7.825 K14H-N 122.428 7.855 V15H-N 120.588 8.154 V16H-N 127.877 8.462 T17H-N 124.08 8.555 A18H-N 126.979 8.673 L19H-N 121.759 9.575 D20H-N 111.105 8.65 R21H-N 118.694 7.653 T22H-N 107.624 7.467 W23H-N 118.614 8.902 W23HE1-NE1 130.121 9.465 H24H-N 121.47 9.325 E26H-N 113.616 9.799 H27H-N 117.347 8.224 F28H-N 121.518 7.028 F29H-N 120.347 6.297 C30H-N 119.689 8.125 A31H-N 132.895 8.951 Q32H-N 120.01 9.152 Q32HE21-NE2 110.714 7.328 Q32HE22-NE2 110.714 6.595 C33H-N 117.266 8.211 G34H-N 112.478 7.893 A35H-N 124.708 8.522 F36H-N 117.619 7.817 F37H-N 120.892 8.413 G38H-N 110.678 8.65 E40H-N 117.443 9.099 G41H-N 107.473 7.936 F42H-N 114.122 6.929 H43H-N 120.186 9.041 E44H-N 125.267 8.679 K45H-N 124.623 9.079 D46H-N 130.613 9.071 G47H-N 104.394 9.14 K48H-N 119.338 7.743 A49H-N 122.327 8.147 Y50H-N 117.619 8.935 C51H-N 122.814 9.912 R52H-N 121.55 8.976 K53H-N 117.988 8.261 D54H-N 119.111 8.565 Y55H-N 120.748 9.249 F56H-N 115.999 8.342 D57H-N 118.662 7.874 M58H-N 114.521 7.861 F59H-N 114.539 7.416 A60H-N 122.111 7.263 K62H-N 119.095 8.043 C63H-N 122.627 8.025 G64H-N 115.951 8.499 G65H-N 113.923 9.368 C66H-N 119.383 7.771 A67H-N 121.106 7.802 R68H-N 118.406 8.322 A69H-N 122.111 8.477 I70H-N 123.224 8.115 L71H-N 127.674 8.849 E72H-N 119.294 8.067 N73H-N 117.892 8.121 N73HD21-ND2 113.36 7.592 N73HD22-ND2 113.36 6.968 Y74H-N 114.106 7.657 I75H-N 118.839 9.121 S76H-N 121.598 8.704 A77H-N 127.182 8.565 L78H-N 120.523 9.558 N79H-N 110.661 8.745 N79HD21-ND2 113.617 7.531 N79HD22-ND2 113.617 6.845 T80H-N 114.521 7.797 L81H-N 121.763 7.991 W82H-N 116.962 8.739 W82HE1-NE1 130.958 9.57 H83H-N 124.393 9.172 E85H-N 113.957 9.875 C86H-N 117.491 7.862 F87H-N 124.319 7.324 V88H-N 115.036 6.777 C89H-N 119.737 7.041 R90H-N 125.911 7.999 E91H-N 119.651 8.809 C92H-N 115.357 7.788 F93H-N 119.593 8.117 T94H-N 115.229 7.55 F96H-N 120.802 8.45 V97H-N 124.555 8.788 G99H-N 105.415 8.309 S100H-N 115.02 7.533 F101H-N 119.898 6.765 F102H-N 119.946 8.565 E103H-N 123.606 8.529 H104H-N 123.484 9.279 D105H-N 130.657 9.053 G106H-N 103.717 9.097 Q107H-N 117.156 7.763 Q107HE21-NE2 111.595 7.461 Q107HE22-NE2 111.595 6.836 Y109H-N 116.32 8.766 C110H-N 118.261 9.444 E111H-N 120.539 8.778 V112H-N 115.774 7.553 H113H-N 119.785 7.818 Y114H-N 123.821 8.888 H115H-N 116.817 7.558 E116H-N 117.732 7.443 R117H-N 118.004 7.37 R118H-N 117.154 7.39 G119H-N 107.159 7.542 S120H-N 116.191 7.837 E122H-N 119.224 8.413 Y123H-N 119.769 7.747 F124H-N 121.021 7.833 K125H-N 122.714 7.93 G127H-N 115.469 7.821