Assignment w1 w2 S6H-N 117.84 8.321 G7H-N 110.853 8.456 G8H-N 108.916 8.296 S9H-N 115.783 8.291 S10H-N 118.213 8.457 I11H-N 122.464 8.135 L12H-N 125.088 8.117 D13H-N 121.569 8.215 R14H-N 123.291 8.359 A15H-N 120.267 8.254 V16H-N 119.729 7.543 I17H-N 120.084 7.707 E18H-N 117.721 8.613 H19H-N 117.599 7.988 N20H-N 120.179 8.537 N20HD21-ND2 112.19 6.987 N20HD22-ND2 112.19 7.667 L21H-N 126.494 8.938 L22H-N 119.763 8.364 S23H-N 116.567 8.165 A24H-N 124.734 7.875 S25H-N 113.344 7.829 K26H-N 117.698 6.834 L27H-N 118.986 7.492 Y28H-N 116.824 7.402 N29H-N 117.991 8.914 N29HD21-ND2 113.068 7.069 N29HD22-ND2 113.068 7.775 N30H-N 114.058 7.966 N30HD21-ND2 116.104 6.97 N30HD22-ND2 116.104 7.726 I31H-N 118.918 8.298 T32H-N 116.293 8.113 F33H-N 118.858 7.838 E34H-N 117.963 8.696 E35H-N 121.173 7.968 L36H-N 121.719 8.736 G37H-N 106.678 8.814 A38H-N 122.876 7.631 L39H-N 119.045 7.875 L40H-N 116.792 7.983 E41H-N 116.212 7.956 I42H-N 111.791 8.424 A44H-N 127.747 9.008 A45H-N 116.836 8.788 K46H-N 117.715 7.072 A47H-N 121.931 7.939 E48H-N 116.319 7.865 K49H-N 119.078 7.177 I50H-N 119.303 8.202 A51H-N 121.53 8.347 S52H-N 110.739 8.38 Q53H-N 122.428 8.009 Q53HE21-NE2 111.5 6.758 Q53HE22-NE2 111.5 7.809 M54H-N 117.4 8.336 I55H-N 119.711 8.12 T56H-N 119.571 8.706 E57H-N 117.394 8.211 G58H-N 107.751 7.926 R59H-N 117.811 8.431 M60H-N 116.32 7.285 N61H-N 123.059 8.842 N61HD21-ND2 112.924 7.654 N61HD22-ND2 112.924 6.966 G62H-N 108.71 8.039 F63H-N 114.574 8.607 I64H-N 122.365 8.804 D65H-N 127.048 8.935 Q66H-N 124.33 9.014 Q66HE21-NE2 112.19 6.929 Q66HE22-NE2 112.19 7.702 I67H-N 120.842 8.326 D68H-N 117.387 7.613 G69H-N 110.462 7.584 I70H-N 116.974 7.347 V71H-N 124.676 8.477 H72H-N 125.091 8.573 F73H-N 122.29 8.292 E74H-N 120.958 8.321 T75H-N 116.556 8.387 R76H-N 124.158 8.533 E77H-N 122.592 8.513 A78H-N 125.583 8.378 S79H-N 115.237 8.276 G80H-N 110.588 8.2 S82H-N 116.445 8.52 S83H-N 118.092 8.564 G84H-N 116.848 8.035