Assignment w1 w2 A4H-N 121.317 8.159 L5H-N 118.939 9.048 S6H-N 113.421 8.258 G7H-N 110.534 9.851 D8H-N 114.07 8.246 T9H-N 119.459 7.729 M10H-N 124.903 9.024 I11H-N 119.868 9.251 E12H-N 121.148 8.751 I13H-N 116.024 9.16 L14H-N 122.045 8.244 D15H-N 126.378 8.324 D16H-N 117.457 8.968 D17H-N 117.905 8.17 G18H-N 108.312 8.14 I19H-N 123.21 8.067 I20H-N 129.113 8.152 Q21H-N 125.0 9.026 K22H-N 124.285 8.561 I23H-N 123.612 8.927 S24H-N 120.281 8.776 M25H-N 120.616 8.428 E26H-N 118.279 9.03 D27H-N 121.831 7.861 L28H-N 122.665 8.376 Y29H-N 118.98 8.206 Q30H-N 114.278 7.825 R31H-N 118.94 7.994 L32H-N 118.673 7.256 A33H-N 127.949 7.356 K3H-N 123.273 8.075 D4H-N 121.31 8.124 D5H-N 120.026 8.202 D6H-N 120.556 8.228 D7H-N 120.567 8.335 K8H-N 120.069 8.152 M9H-N 118.243 8.382 F10H-N 121.067 7.802 K11H-N 125.151 8.447 L12H-N 123.21 8.246 N13H-N 120.37 8.425 N13HD21-ND2 108.55 5.935 N13HD22-ND2 108.55 7.339 T14H-N 116.806 7.939 K15H-N 118.587 7.18 N16H-N 116.122 8.066 I17H-N 117.668 7.857 K18H-N 124.91 8.601 V19H-N 118.873 9.684 L20H-N 127.234 9.098 T21H-N 121.329 7.641 S23H-N 111.419 8.233 G24H-N 108.814 7.694 K26H-N 122.751 9.329 S27H-N 115.937 8.857 F28H-N 112.784 6.812 S29H-N 118.268 8.827 G30H-N 106.218 7.694 I31H-N 118.855 8.77 Q32H-N 127.182 9.095 K33H-N 126.858 8.238 V34H-N 122.644 9.073 Y35H-N 126.622 8.675 K36H-N 126.628 8.034 F38H-N 111.661 6.995 Y39H-N 114.281 8.531 H40H-N 117.33 9.786 H41H-N 123.794 9.614 I42H-N 128.152 9.518 I43H-N 124.598 8.091 F44H-N 125.393 8.794 D45H-N 121.203 9.186 D46H-N 118.671 7.948 G47H-N 109.153 8.311 S48H-N 117.663 8.227 E49H-N 115.861 8.46 I50H-N 119.289 9.356 K51H-N 127.716 9.058 C52H-N 116.698 9.426 S53H-N 114.297 8.77 D54H-N 118.688 9.101 N55H-N 113.21 7.789 H56H-N 120.948 7.462 F58H-N 117.821 8.726 G59H-N 105.326 7.791 D61H-N 114.695 8.703 K62H-N 117.354 7.773 I63H-N 121.396 8.396 K64H-N 128.029 8.528 A65H-N 126.451 8.85 S66H-N 107.81 7.926 T67H-N 111.533 7.868 I68H-N 123.263 7.013 K69H-N 130.832 8.911 V70H-N 120.391 8.265 G71H-N 117.22 9.026 D72H-N 120.825 7.985 Y73H-N 116.522 8.5 L74H-N 125.064 9.331 Q75H-N 123.302 9.281 Q75HE21-NE2 109.579 7.944 Q75HE22-NE2 109.579 7.33 G76H-N 102.311 8.399 K77H-N 121.649 7.999 K78H-N 125.085 8.451 V79H-N 126.927 8.803 L80H-N 128.83 9.089 Y81H-N 116.828 7.475 N82H-N 121.43 8.59 N82HD21-ND2 107.223 6.393 N82HD22-ND2 107.223 7.77 E83H-N 122.984 8.301 I84H-N 122.605 8.332 V85H-N 131.179 9.049 E86H-N 130.191 8.76 E87H-N 123.795 7.634 G88H-N 107.702 7.98 I89H-N 123.057 8.185 Y90H-N 120.935 7.947 L91H-N 122.654 8.98 Y92H-N 117.032 10.128 D93H-N 118.215 8.911 L94H-N 120.409 7.879 L95H-N 118.851 7.82 N96H-N 119.441 8.771 N96HD21-ND2 111.81 7.44 N96HD22-ND2 111.81 7.029 V97H-N 121.847 8.405 G98H-N 114.436 8.705 D100H-N 116.282 7.99 N101H-N 111.387 8.117 L102H-N 116.483 7.578 Y103H-N 114.197 8.85 Y104H-N 117.91 7.647 T105H-N 110.228 9.732 N106H-N 126.684 9.974 N106HD21-ND2 112.335 8.31 N106HD22-ND2 112.335 7.336 G107H-N 101.247 8.573 I108H-N 120.964 8.028 V109H-N 124.947 9.762 S110H-N 129.669 9.234 H111H-N 121.785 8.192 A112H-N 131.274 9.32 C113H-N 119.298 8.397 E114H-N 124.755 8.718 S115H-N 117.397 8.657 R116H-N 123.837 8.585 G117H-N 110.172 8.374 K118H-N 125.717 7.724