Assignment w1 w2 H3H-N 120.545 8.502 V4H-N 123.249 7.737 A5H-N 128.997 8.348 F6H-N 124.565 8.525 G7H-N 117.664 9.161 S8H-N 114.338 7.3 E9H-N 124.782 9.047 D10H-N 115.068 8.245 I11H-N 120.259 7.063 E12H-N 123.111 10.646 N13H-N 122.941 7.924 N13HD21-ND2 112.243 7.73 N13HD22-ND2 112.243 6.816 T14H-N 117.425 7.755 L15H-N 119.903 8.03 A16H-N 119.799 7.268 K17H-N 114.126 7.342 M18H-N 119.331 7.445 D19H-N 121.64 8.342 D20H-N 118.829 8.574 G21H-N 108.963 8.435 Q22H-N 120.904 8.19 Q22HE21-NE2 111.903 7.615 Q22HE22-NE2 111.903 6.872 L23H-N 122.031 8.487 D24H-N 117.411 7.903 G25H-N 108.632 8.056 L26H-N 119.901 7.035 A27H-N 121.787 8.707 F28H-N 113.636 6.631 G29H-N 108.254 9.337 A30H-N 122.838 8.148 I31H-N 122.322 8.942 Q32H-N 126.664 8.499 Q32HE21-NE2 109.664 6.54 Q32HE22-NE2 109.664 6.071 L33H-N 128.036 9.597 D34H-N 118.735 8.338 G35H-N 103.414 8.863 D36H-N 116.621 7.976 G37H-N 108.326 8.678 N38H-N 122.322 9.18 N38HD21-ND2 120.375 8.758 N38HD22-ND2 120.375 7.413 I39H-N 120.119 8.741 L40H-N 130.761 9.701 Q41H-N 112.833 7.63 Q41HE21-NE2 109.571 7.497 Q41HE22-NE2 109.571 6.731 Y42H-N 127.197 9.003 N43H-N 124.835 8.427 N43HD21-ND2 111.095 7.578 N43HD22-ND2 111.095 7.455 A44H-N 120.826 8.572 A45H-N 119.28 8.226 E46H-N 119.854 7.87 G47H-N 105.936 7.99 D48H-N 121.591 8.165 I49H-N 119.066 7.9 T50H-N 106.425 8.468 G51H-N 113.226 8.817 R52H-N 119.193 8.092 R52HE-NE 83.814 7.682 D53H-N 121.647 8.315 K55H-N 111.032 8.022 Q56H-N 115.031 7.914 Q56HE21-NE2 112.742 7.782 Q56HE22-NE2 112.742 6.897 V57H-N 108.837 7.082 I58H-N 120.483 6.96 G59H-N 115.87 9.094 K60H-N 118.807 7.774 N61H-N 119.595 9.66 N61HD21-ND2 112.648 7.311 N61HD22-ND2 112.648 7.021 F62H-N 130.619 9.519 F63H-N 112.354 6.299 K64H-N 111.448 7.758 D65H-N 113.778 7.536 V66H-N 119.505 7.035 A67H-N 122.488 7.826 G69H-N 109.776 8.394 T70H-N 111.118 8.123 D71H-N 121.341 8.985 S72H-N 117.101 7.881 E74H-N 113.133 8.67 F75H-N 117.722 7.472 Y76H-N 122.514 8.545 G77H-N 103.315 8.438 K78H-N 120.317 6.535 F79H-N 121.847 7.975 K80H-N 117.837 8.578 E81H-N 118.947 7.76 G82H-N 108.382 7.817 V83H-N 124.305 8.241 A84H-N 120.254 7.683 S85H-N 110.45 8.103 G86H-N 110.483 7.814 N87H-N 118.077 8.122 N87HD21-ND2 111.957 6.902 N87HD22-ND2 111.957 7.505 L88H-N 121.455 7.789 N89H-N 125.778 8.973 N89HD21-ND2 110.955 7.209 N89HD22-ND2 110.955 7.781 T90H-N 119.418 9.158 M91H-N 126.855 8.443 F92H-N 120.302 8.946 E93H-N 118.953 8.864 W94H-N 123.75 9.331 W94HE1-NE1 132.322 12.05 M95H-N 124.305 6.749 I96H-N 123.611 8.903 T98H-N 112.951 7.394 R100H-N 119.683 8.053 G101H-N 108.868 7.463 T103H-N 122.384 9.146 K104H-N 130.546 8.794 V105H-N 120.138 9.309 K106H-N 120.73 9.07 V107H-N 123.657 8.969 H108H-N 126.423 9.533 M109H-N 124.262 9.261 K110H-N 122.193 8.964 K111H-N 126.422 8.003 A112H-N 124.567 7.956 L113H-N 121.276 8.71 S114H-N 109.251 7.746 G115H-N 108.289 7.988 D116H-N 118.221 8.14 S117H-N 111.285 7.04 Y118H-N 116.933 8.85 W119H-N 122.827 9.171 W119HE1-NE1 126.353 10.322 V120H-N 120.68 9.1 F121H-N 125.45 9.506 V122H-N 123.251 8.992 K123H-N 124.63 8.629 R124H-N 124.029 9.04 V125H-N 122.195 7.906 K126H-N 125.847 8.472 L127H-N 125.313 8.409 A128H-N 125.216 8.328 A129H-N 123.202 8.232 A130H-N 122.518 8.226 L131H-N 120.59 8.125 E132H-N 120.984 8.257 H133H-N 119.854 8.238 H138H-N 125.358 7.993