Assignment w1 w2 A3H-N 125.638 8.325 K4H-N 121.813 8.486 K5H-N 129.722 10.015 T6H-N 126.254 8.538 L7H-N 130.775 8.575 I8H-N 127.242 9.217 L9H-N 127.183 9.248 Y10H-N 113.33 7.306 Y11H-N 121.297 7.891 S12H-N 117.763 7.557 W13H-N 135.232 9.755 W13HE1-NE1 129.932 10.917 S14H-N 113.789 10.026 G15H-N 110.489 7.391 E16H-N 129.005 11.55 T17H-N 123.016 11.293 K18H-N 120.156 6.94 K19H-N 117.237 7.212 M20H-N 119.268 7.6 A21H-N 123.669 8.738 E22H-N 117.242 7.959 K23H-N 123.302 7.703 I24H-N 122.208 8.535 N25H-N 118.64 8.317 N25HD21-ND2 112.409 6.085 N25HD22-ND2 112.409 7.695 S26H-N 111.99 7.369 E27H-N 120.201 7.451 I28H-N 118.762 7.255 K29H-N 130.563 8.564 D30H-N 119.357 8.92 S31H-N 114.019 8.006 E32H-N 121.455 8.145 L33H-N 126.176 8.589 K34H-N 127.2 9.38 E35H-N 122.324 8.094 V36H-N 126.781 8.66 K37H-N 126.065 7.809 V38H-N 111.02 8.305 S39H-N 117.887 8.847 E40H-N 126.316 9.049 G41H-N 112.494 8.78 T42H-N 118.631 7.737 F43H-N 116.279 8.114 D44H-N 121.513 7.774 A45H-N 125.663 8.324 D46H-N 119.288 9.618 M47H-N 127.347 9.178 Y48H-N 121.04 7.881 K49H-N 121.754 8.365 T50H-N 117.557 8.007 S51H-N 115.11 7.606 D52H-N 119.713 7.552 I53H-N 121.982 7.815 A54H-N 121.552 8.332 L55H-N 117.176 8.195 D56H-N 120.056 7.806 Q57H-N 120.02 7.661 Q57HE21-NE2 105.798 6.905 Q57HE22-NE2 105.798 6.905 I58H-N 120.644 8.228 Q59H-N 115.498 8.331 Q59HE21-NE2 110.419 6.79 Q59HE22-NE2 110.419 7.092 G60H-N 106.623 7.611 N61H-N 117.691 8.151 N61HD21-ND2 113.894 6.888 N61HD22-ND2 113.894 7.761 K62H-N 118.289 7.242 D63H-N 119.888 8.23 F64H-N 119.789 8.428 E66H-N 121.326 8.225 I67H-N 113.897 8.366 Q68H-N 121.654 8.763 Q68HE21-NE2 110.23 7.193 Q68HE22-NE2 110.23 6.559 L69H-N 125.289 7.996 D70H-N 123.17 8.278 N71H-N 117.524 8.372 N71HD21-ND2 112.814 7.507 N71HD22-ND2 112.814 6.787 I72H-N 124.515 7.653 D73H-N 125.182 8.382 Y74H-N 123.092 7.348 N75H-N 109.447 8.04 N75HD21-ND2 115.384 8.016 N75HD22-ND2 115.384 7.154 N76H-N 117.411 7.75 N76HD21-ND2 111.718 7.078 N76HD22-ND2 111.718 6.848 Y77H-N 116.878 7.789 D78H-N 121.352 9.036 L79H-N 123.073 7.877 I80H-N 126.348 8.704 L81H-N 126.303 9.202 I82H-N 120.931 8.846 G83H-N 120.905 9.558 S84H-N 116.601 7.533 V86H-N 116.295 7.246 W87H-N 131.042 9.555 W87HE1-NE1 128.15 9.232 S88H-N 122.66 10.257 G89H-N 128.381 6.372 Y90H-N 120.345 8.113 A92H-N 120.629 7.554 T93H-N 112.558 6.73 I95H-N 111.014 7.995 K96H-N 123.208 6.928 T97H-N 113.32 6.325 L98H-N 120.963 7.536 L99H-N 118.859 8.179 D100H-N 118.703 7.867 Q101H-N 117.829 7.597 Q101HE21-NE2 110.03 6.668 Q101HE22-NE2 110.03 7.315 M102H-N 118.406 7.434 K103H-N 115.889 6.881 N104H-N 114.951 8.493 N104HD21-ND2 113.151 6.889 N104HD22-ND2 113.151 7.528 Y105H-N 122.68 8.217 R106H-N 128.872 8.801 E108H-N 117.0 7.514 V109H-N 123.398 8.942 A110H-N 127.905 8.776 S111H-N 110.523 7.48 F112H-N 125.567 7.848 F113H-N 115.065 7.361 T114H-N 108.014 7.867 S115H-N 115.049 8.97 A116H-N 122.671 8.963 G117H-N 107.387 9.34 T118H-N 113.481 9.373 N119H-N 113.202 8.908 N119HD21-ND2 114.882 7.663 N119HD22-ND2 114.882 7.023 H120H-N 117.315 8.074 K121H-N 118.678 8.336 A122H-N 122.146 7.584 Y123H-N 119.73 7.317 V124H-N 118.649 7.799 S125H-N 114.475 7.766 H126H-N 119.326 8.569 F127H-N 121.044 9.139 N128H-N 114.893 7.774 N128HD21-ND2 110.295 6.663 N128HD22-ND2 110.295 7.2 E129H-N 119.804 7.577 W130H-N 120.979 8.225 W130HE1-NE1 127.613 10.456 A131H-N 120.45 8.081 D132H-N 117.813 6.772 G133H-N 115.052 8.626 L134H-N 120.063 8.094 N135H-N 119.292 8.513 N135HD21-ND2 110.357 6.826 N135HD22-ND2 110.357 7.369 V136H-N 125.412 7.648 I137H-N 121.881 9.139 G138H-N 108.226 6.645 V139H-N 119.408 8.092 A140H-N 127.415 9.093 R141H-N 119.287 7.62 D142H-N 125.999 9.482 D143H-N 119.293 8.108 S144H-N 115.303 7.642 E145H-N 119.523 7.771 V146H-N 118.683 6.352 D147H-N 119.312 8.37 K148H-N 119.342 7.04 W149H-N 118.258 7.811 W149HE1-NE1 129.12 10.349 S150H-N 109.618 7.793 K151H-N 127.362 7.201