Assignment w1 w2 K3H-N 121.714 8.349 V4H-N 120.254 8.215 L5H-N 129.865 8.346 L6H-N 129.448 8.825 V7H-N 126.442 8.955 I8H-N 126.7 8.905 S9H-N 118.422 8.425 T10H-N 114.257 7.947 D11H-N 120.963 7.693 N13H-N 121.26 8.58 N13HD21-ND2 115.077 7.966 N13HD22-ND2 115.077 7.038 I14H-N 120.362 7.72 I15H-N 118.817 7.464 S16H-N 114.018 7.934 S17H-N 116.337 7.743 V18H-N 121.865 8.141 Q19H-N 120.273 8.271 Q19HE21-NE2 109.154 6.71 Q19HE22-NE2 109.154 6.707 E20H-N 118.637 7.936 R21H-N 118.499 7.743 A22H-N 122.068 8.289 K23H-N 116.465 8.166 H24H-N 116.403 7.58 N25H-N 115.533 7.968 N25HD21-ND2 112.083 7.496 N25HD22-ND2 112.083 6.989 Y26H-N 118.111 7.991 G28H-N 109.421 8.459 E30H-N 122.44 8.944 I31H-N 124.041 7.854 R32H-N 125.353 9.203 T33H-N 115.576 8.587 A34H-N 126.849 8.788 T35H-N 116.403 10.056 S36H-N 113.538 7.654 Q38H-N 121.434 8.379 Q38HE21-NE2 115.35 6.957 Q38HE22-NE2 115.35 7.838 D39H-N 118.782 7.827 I40H-N 117.989 7.488 R41H-N 119.009 7.918 D42H-N 120.374 8.36 I43H-N 122.674 8.404 I44H-N 120.597 8.234 K45H-N 118.708 7.936 S46H-N 113.806 7.904 M47H-N 120.146 7.945 K48H-N 120.084 7.813 D49H-N 118.386 8.249 N50H-N 115.63 7.985 N50HD21-ND2 113.805 7.643 N50HD22-ND2 113.805 6.991 K52H-N 122.242 8.047 L54H-N 121.321 8.259 V55H-N 123.497 8.275 V56H-N 126.075 8.885 F57H-N 125.51 9.054 V58H-N 123.383 8.914 N59H-N 125.433 8.618 N59HD21-ND2 109.425 6.713 N59HD22-ND2 109.425 7.474 G60H-N 111.351 8.554 A61H-N 121.558 7.375 S62H-N 117.373 8.806 D65H-N 121.301 7.799 V66H-N 119.92 7.781 N67H-N 119.301 8.389 N67HD21-ND2 111.733 7.715 N67HD22-ND2 111.733 6.982 E68H-N 121.121 8.311 F69H-N 119.235 8.132 Q70H-N 116.573 8.125 Q70HE21-NE2 109.421 7.043 Q70HE22-NE2 109.421 6.692 N71H-N 118.046 8.357 N71HD21-ND2 112.728 7.698 N71HD22-ND2 112.728 6.896 E72H-N 121.593 8.381 A73H-N 121.785 8.458 K74H-N 116.895 7.823 K75H-N 120.444 7.74 E76H-N 114.648 7.815 G77H-N 108.984 7.823 V78H-N 121.589 8.28 S79H-N 123.071 8.57 Y80H-N 119.347 7.947 D81H-N 120.858 8.518 V82H-N 121.004 8.587 L83H-N 131.326 9.126 K84H-N 127.038 8.677 S85H-N 116.29 7.863 T86H-N 115.684 8.791 D87H-N 124.587 8.674 E89H-N 119.664 8.096 E90H-N 122.741 7.436 L91H-N 116.791 8.252 T92H-N 113.939 8.037 Q93H-N 120.487 8.172 Q93HE21-NE2 111.81 7.688 Q93HE22-NE2 111.81 6.804 R94H-N 118.24 8.455 R94HE-NE 83.13 7.65 V95H-N 121.109 8.295 R96H-N 118.714 7.997 E97H-N 117.952 8.222 F98H-N 120.964 8.077 L99H-N 117.321 8.035 K100H-N 119.889 7.958 T101H-N 111.897 7.819 A102H-N 125.177 8.012 G103H-N 106.437 8.098 S104H-N 115.271 8.017 L105H-N 123.785 8.288 E106H-N 120.887 8.298 H107H-N 125.792 7.931