Assignment w1 w2 H3H-N 118.914 8.657 M4H-N 121.567 8.396 Q5H-N 122.207 8.558 Q5HE21-NE2 112.483 6.94 Q5HE22-NE2 112.483 7.665 A6H-N 124.376 8.422 I7H-N 119.559 7.927 S8H-N 119.976 8.705 E9H-N 121.654 8.674 K10H-N 119.969 8.55 D11H-N 119.573 8.243 R12H-N 123.28 8.64 R12HE-NE 85.954 7.292 G13H-N 109.011 9.103 N14H-N 121.765 9.125 N14HD21-ND2 109.759 7.788 N14HD22-ND2 109.759 7.147 G15H-N 109.003 8.108 F16H-N 120.772 7.727 F17H-N 122.565 9.38 K18H-N 120.796 8.509 E19H-N 115.294 7.282 G20H-N 108.036 7.714 K21H-N 121.887 7.806 Y22H-N 119.181 6.811 E23H-N 118.584 9.084 R24H-N 119.579 7.616 R24HE-NE 85.632 7.115 A25H-N 121.765 8.055 I26H-N 117.559 8.429 E27H-N 122.921 7.802 C28H-N 118.14 7.561 Y29H-N 118.172 8.904 T30H-N 115.921 8.629 R31H-N 122.959 7.78 R31HE-NE 85.997 8.051 G32H-N 108.096 8.826 I33H-N 125.043 8.659 A34H-N 120.215 7.422 A35H-N 118.18 7.246 D36H-N 118.162 7.963 G37H-N 113.37 8.859 A38H-N 121.306 8.266 N39H-N 116.95 6.686 N39HD21-ND2 110.36 7.927 N39HD22-ND2 110.36 6.622 A40H-N 130.344 9.319 L41H-N 114.452 7.718 L42H-N 115.091 6.989 A44H-N 119.442 7.1 N45H-N 120.578 8.422 N45HD21-ND2 109.154 8.125 N45HD22-ND2 109.154 5.886 R46H-N 124.064 8.283 R46HE-NE 86.385 10.92 A47H-N 118.831 8.54 M48H-N 116.004 7.199 A49H-N 121.474 7.795 Y50H-N 116.385 8.783 L51H-N 120.758 8.657 K52H-N 117.763 7.537 I53H-N 110.019 7.082 Q54H-N 112.179 7.36 Q54HE21-NE2 112.08 7.447 Q54HE22-NE2 112.08 6.68 K55H-N 121.31 7.969 Y56H-N 120.21 6.832 E57H-N 121.046 9.181 E58H-N 122.059 9.332 A59H-N 120.0 7.98 E60H-N 119.976 8.594 K61H-N 118.836 7.841 D62H-N 122.368 8.005 C63H-N 117.639 8.327 T64H-N 117.851 8.303 Q65H-N 122.091 7.774 Q65HE21-NE2 110.73 7.343 Q65HE22-NE2 110.73 6.856 A66H-N 121.213 8.141 I67H-N 118.649 8.143 L68H-N 120.626 7.786 L69H-N 118.53 7.409 D70H-N 120.301 8.476 G71H-N 111.612 8.65 S72H-N 113.623 8.376 Y73H-N 123.255 7.439 S74H-N 126.041 8.745 K75H-N 118.074 8.001 A76H-N 118.172 7.01 F77H-N 116.616 7.153 A78H-N 121.822 8.102 R79H-N 118.53 8.284 R80H-N 124.064 8.284 R80HE-NE 85.531 8.888 G81H-N 108.565 8.759 T82H-N 121.203 8.081 A83H-N 124.065 8.596 R84H-N 114.251 9.025 R84HE-NE 86.256 9.037 T85H-N 116.744 8.179 F86H-N 121.828 7.327 L87H-N 117.156 7.541 G88H-N 107.707 7.729 K89H-N 124.199 8.198 L90H-N 119.401 7.528 N91H-N 119.346 8.782 N91HD21-ND2 114.013 7.069 N91HD22-ND2 114.013 7.788 E92H-N 121.779 8.914 A93H-N 122.258 8.523 K94H-N 116.749 8.112 Q95H-N 116.381 7.339 Q95HE21-NE2 111.921 6.876 Q95HE22-NE2 111.921 7.394 D96H-N 122.639 7.696 F97H-N 118.775 8.437 E98H-N 119.394 8.831 T99H-N 119.392 8.171 V100H-N 121.469 7.965 L101H-N 115.645 7.265 L102H-N 119.51 7.47 L103H-N 119.02 7.734 E104H-N 121.15 9.025 G106H-N 108.828 8.611 N107H-N 120.15 7.831 N107HD21-ND2 113.906 7.868 N107HD22-ND2 113.906 6.952 K108H-N 127.544 8.538 Q109H-N 121.431 8.245 Q109HE21-NE2 112.207 7.717 Q109HE22-NE2 112.207 6.912 A110H-N 121.787 8.67 V111H-N 116.548 7.715 T112H-N 117.561 8.046 E113H-N 121.65 8.382 L114H-N 119.811 8.192 S115H-N 114.513 7.849 K116H-N 120.342 7.464 I117H-N 118.362 7.588 K118H-N 122.796 7.971 K119H-N 121.882 7.999 K120H-N 127.917 7.894