Assignment w1 w2 Q1H-N 119.567 7.868 Q1HE21-NE2 111.904 6.512 Q1HE22-NE2 111.904 7.296 K3H-N 120.21 8.185 A4H-N 129.532 9.604 A5H-N 126.421 8.372 S7H-N 116.666 8.776 V8H-N 127.629 8.59 T9H-N 122.975 8.71 L10H-N 128.247 8.382 F11H-N 126.151 9.35 S14H-N 118.541 8.578 S15H-N 117.65 8.937 E16H-N 120.586 8.567 E17H-N 122.087 7.661 L18H-N 119.622 7.861 Q19H-N 118.697 7.84 Q19HE21-NE2 111.699 6.761 Q19HE22-NE2 111.699 7.311 A20H-N 122.68 7.535 N21H-N 113.757 8.023 N21HD21-ND2 112.016 6.757 N21HD22-ND2 112.016 7.46 K22H-N 118.543 7.851 A23H-N 120.527 7.633 T24H-N 119.693 8.329 L25H-N 122.866 8.38 V26H-N 125.345 9.15 C27H-N 130.104 9.765 L28H-N 128.174 9.328 I29H-N 126.743 8.422 S30H-N 120.108 9.186 D31H-N 119.038 8.055 F32H-N 110.748 7.864 Y33H-N 120.616 9.166 G35H-N 108.144 8.303 A36H-N 124.654 7.523 V37H-N 117.02 8.326 T38H-N 115.859 8.174 V39H-N 125.535 8.791 A40H-N 131.846 9.074 W41H-N 120.623 8.955 W41HE1-NE1 128.871 10.086 K42H-N 119.553 8.895 A43H-N 123.817 8.465 D44H-N 124.772 9.033 S45H-N 113.742 8.299 S46H-N 119.793 8.191 V48H-N 123.568 8.082 K49H-N 124.728 8.678 A50H-N 123.261 7.573 G51H-N 107.729 8.492 V52H-N 119.921 7.322 E53H-N 124.717 8.678 T54H-N 108.233 7.714 T55H-N 120.291 9.271 T56H-N 117.241 8.434 S58H-N 118.463 9.19 K59H-N 128.629 8.893 Q60H-N 125.323 8.752 Q60HE21-NE2 108.658 6.782 Q60HE22-NE2 108.658 7.159 S61H-N 116.81 8.316 N62H-N 117.319 7.454 N62HD21-ND2 108.706 6.788 N62HD22-ND2 108.706 7.168 N63H-N 111.057 8.049 N63HD21-ND2 113.22 6.762 N63HD22-ND2 113.22 7.302 K64H-N 116.626 7.328 Y65H-N 118.169 8.914 A66H-N 116.742 8.069 A67H-N 121.704 9.693 S68H-N 112.416 8.139 S69H-N 115.828 9.005 Y70H-N 127.456 9.469 L71H-N 124.534 8.188 S72H-N 122.484 8.455 L73H-N 125.662 8.257 T74H-N 110.488 8.162 E76H-N 115.22 8.36 Q77H-N 120.16 7.872 Q77HE21-NE2 110.664 7.463 Q77HE22-NE2 110.664 8.152 W78H-N 122.247 8.34 W78HE1-NE1 128.409 10.503 K79H-N 111.394 7.532 S80H-N 112.628 7.546 H81H-N 117.031 6.917 H81HD1-ND1 124.637 7.522 R82H-N 118.708 7.831 S83H-N 110.337 7.789 Y84H-N 119.271 8.917 S85H-N 112.837 9.138 C86H-N 122.8 8.4 Q87H-N 124.728 8.81 Q87HE21-NE2 111.572 6.619 Q87HE22-NE2 111.572 7.369 V88H-N 128.054 9.169 T89H-N 125.347 9.17 H90H-N 127.996 8.837 H90HD1-ND1 127.989 8.84 E91H-N 126.334 9.34 G92H-N 104.116 8.367 S93H-N 117.008 7.958 T94H-N 122.695 8.849 V95H-N 126.75 8.952 E96H-N 125.142 8.548 K97H-N 122.985 8.176 T98H-N 115.549 8.364 V99H-N 120.251 9.116 A100H-N 125.025 8.341 T102H-N 112.589 7.908 E103H-N 122.883 8.328 S104H-N 116.747 8.313 S105H-N 118.251 8.394 E106H-N 122.121 8.381 N107H-N 118.709 8.242 N107HD21-ND2 112.55 6.84 N107HD22-ND2 112.55 7.514 L108H-N 121.943 7.981 Y109H-N 119.374 7.948 F110H-N 121.022 7.935 Q111H-N 121.6 8.166 Q111HE21-NE2 111.99 6.765 Q111HE22-NE2 111.99 7.36