Assignment w1 w2 C6H-N 123.176 8.65 S9H-N 117.237 8.534 E11H-N 119.883 8.435 I12H-N 114.345 6.882 D13H-N 121.378 8.375 S14H-N 115.656 8.865 C15H-N 125.542 9.418 N17H-N 113.56 7.964 N17HD21-ND2 114.61 6.778 N17HD22-ND2 114.61 7.27 N19H-N 117.099 8.833 N19HD21-ND2 113.344 6.671 N19HD22-ND2 113.344 7.641 N20H-N 116.7 7.256 N20HD21-ND2 106.81 6.783 N20HD22-ND2 106.81 6.784 A21H-N 118.957 8.403 C22H-N 121.755 9.753 G23H-N 113.831 8.736 K24H-N 119.449 8.946 D25H-N 122.725 7.704 V26H-N 129.385 9.192 G28H-N 107.759 8.652 S29H-N 115.698 7.654 S31H-N 124.098 9.304 S32H-N 124.192 8.662 L33H-N 123.653 9.093 C34H-N 111.98 7.843 N35H-N 116.659 8.819 N35HD21-ND2 114.408 7.381 N35HD22-ND2 114.408 7.056 C36H-N 127.822 9.74 G37H-N 110.054 9.231 G39H-N 106.316 8.471 Q40H-N 119.901 7.417 Q40HE21-NE2 112.448 7.244 Q40HE22-NE2 112.448 7.54 T41H-N 120.453 8.197 C42H-N 124.817 8.295 F43H-N 128.828 8.878 T44H-N 103.084 7.434 D45H-N 117.531 7.207 N47H-N 118.502 8.136 H48H-N 113.336 7.651 T49H-N 113.314 7.312 I50H-N 121.321 9.349 T51H-N 117.567 8.64 L52H-N 131.203 9.445 V53H-N 119.453 8.967 Y55H-N 109.549 7.158 Y56H-N 119.063 9.044 T57H-N 111.968 8.72 D59H-N 116.133 8.089 G60H-N 107.797 7.677 F62H-N 126.998 8.221 E63H-N 122.704 7.499 K64H-N 123.714 9.347 K65H-N 123.696 8.677 Y66H-N 123.645 9.053 Y67H-N 120.902 8.405 T68H-N 112.591 9.48 C69H-N 117.562 7.577 G70H-N 106.136 8.533 D71H-N 122.29 8.413 S73H-N 113.84 8.534 E74H-N 119.435 7.446 L75H-N 120.423 7.442 D76H-N 118.494 8.172 E77H-N 122.774 8.705 C78H-N 124.135 8.865 Y79H-N 125.573 8.939 D80H-N 125.102 8.297 I81H-N 115.241 7.639 D82H-N 122.263 8.094 K83H-N 120.455 8.04 A84H-N 129.806 9.246 L85H-N 112.377 7.21 E86H-N 122.296 9.089 V87H-N 119.018 8.667 N88H-N 116.692 8.362 N88HD21-ND2 118.258 7.754 N88HD22-ND2 118.258 7.843 E89H-N 115.273 7.386 S90H-N 112.882 8.03 D91H-N 121.138 7.767 D92H-N 117.354 8.548 N94H-N 119.911 8.726 S95H-N 116.075 7.653 V96H-N 125.505 8.728 E97H-N 128.353 9.001 V98H-N 127.932 8.77 L99H-N 122.757 8.156 C100H-N 111.981 7.801 H101H-N 120.9 9.023 C102H-N 103.46 8.311 S104H-N 111.333 8.357 D105H-N 118.517 8.669 K106H-N 122.232 8.339 I107H-N 113.834 8.721 Y108H-N 119.446 7.755 L109H-N 128.401 9.352 W110H-N 127.95 7.724 W110HE1-NE1 128.836 9.704 I111H-N 120.564 7.315 R113H-N 116.63 6.03 G114H-N 105.346 7.967 Y115H-N 113.879 5.763 Y116H-N 116.618 9.372 I117H-N 115.705 8.804 C118H-N 122.145 9.615 I119H-N 127.939 9.553 T120H-N 123.7 8.052 Q123H-N 121.843 8.27