Assignment w1 w2 A3H-N 123.522 8.555 I4H-N 118.718 8.019 S5H-N 119.545 8.49 N6H-N 119.685 8.596 N6HD21-ND2 112.394 7.649 N6HD22-ND2 112.394 6.992 I7H-N 120.229 7.91 D8H-N 119.981 8.317 N9H-N 117.022 8.271 N9HD21-ND2 111.525 7.263 N9HD22-ND2 111.525 6.808 Y10H-N 118.156 8.074 Y11H-N 119.843 8.699 T12H-N 108.287 8.17 E13H-N 122.18 7.77 N14H-N 122.601 9.071 N14HD21-ND2 107.535 7.723 N14HD22-ND2 107.535 6.258 V16H-N 117.648 8.291 K17H-N 124.963 9.151 I18H-N 116.89 8.74 V19H-N 118.718 9.062 M20H-N 122.902 7.883 L21H-N 126.318 9.519 V22H-N 109.65 7.346 N23H-N 117.586 8.343 N23HD21-ND2 114.135 7.827 N23HD22-ND2 114.135 6.956 D24H-N 124.691 8.787 R25H-N 123.425 9.132 R25HE-NE 83.776 6.983 Y26H-N 116.255 7.875 Y27H-N 116.843 9.412 T28H-N 113.434 8.918 D29H-N 119.448 9.224 L30H-N 119.34 8.689 E31H-N 112.482 7.326 F32H-N 117.688 7.813 K33H-N 119.764 10.268 T34H-N 119.951 9.945 G36H-N 113.317 8.88 S37H-N 120.259 8.548 V39H-N 119.635 8.399 K40H-N 124.993 8.272 K41H-N 124.634 8.803 G42H-N 114.492 9.105 T43H-N 118.347 7.7 T44H-N 122.291 8.679 I45H-N 126.794 9.169 R46H-N 126.694 8.734 R46HE-NE 74.24 6.22 V47H-N 125.501 8.638 Q48H-N 124.455 9.098 Q48HE21-NE2 109.573 7.322 Q48HE22-NE2 109.573 6.702 G49H-N 105.032 7.446 I50H-N 119.585 8.497 E51H-N 126.751 8.541 Y52H-N 120.488 8.875 S53H-N 118.21 8.821 K54H-N 125.449 10.796 N55H-N 113.266 7.978 N55HD21-ND2 112.506 7.486 N55HD22-ND2 112.506 7.009 G56H-N 106.163 7.857 Y57H-N 118.434 7.688 R59H-N 123.865 9.408 R59HE-NE 85.2 6.494 L60H-N 119.016 9.009 K61H-N 125.67 8.909 T62H-N 119.735 7.978 S63H-N 116.128 9.379 Q64H-N 117.655 7.689 Q64HE21-NE2 111.974 7.189 Q64HE22-NE2 111.974 6.762 G65H-N 105.905 6.987 Y66H-N 122.318 9.945 I67H-N 117.626 9.19 T68H-N 119.259 8.652 S69H-N 114.68 8.038 N70H-N 122.74 8.478 N70HD21-ND2 112.872 7.142 N70HD22-ND2 112.872 6.94 K71H-N 128.401 8.763 R72H-N 116.303 8.737 R72HE-NE 84.68 7.183 Y73H-N 116.776 8.294 V74H-N 113.126 7.931 Q75H-N 118.718 8.367 Q75HE21-NE2 111.874 7.606 Q75HE22-NE2 111.874 6.88 K76H-N 125.707 8.33 V77H-N 126.407 8.253 N78H-N 124.35 8.695 N78HD21-ND2 113.206 7.689 N78HD22-ND2 113.206 7.006 G79H-N 110.259 8.544 S80H-N 115.826 8.378