Assignment w1 w2 E3H-N 118.137 8.544 A4H-N 122.826 7.966 L5H-N 121.88 7.974 L7H-N 119.98 7.929 Y8H-N 119.529 8.357 Y9H-N 122.356 7.075 L10H-N 128.807 7.798 Q11H-N 121.025 8.008 Q11HE21-NE2 110.488 7.094 Q11HE22-NE2 110.488 6.817 I12H-N 125.16 9.732 T13H-N 117.703 9.296 G14H-N 110.292 7.996 I15H-N 120.779 9.027 T16H-N 117.111 8.638 S17H-N 111.373 8.606 D18H-N 119.183 9.272 G19H-N 108.0 7.88 N20H-N 120.069 6.957 N20HD21-ND2 108.679 7.84 N20HD22-ND2 108.679 7.591 D21H-N 117.27 7.859 F22H-N 105.457 6.915 A23H-N 118.515 6.692 W24H-N 129.573 8.66 W24HE1-NE1 127.864 10.147 D25H-N 122.318 9.024 N26H-N 121.192 8.724 N26HD21-ND2 111.76 6.789 N26HD22-ND2 111.76 7.501 L27H-N 120.887 7.717 T28H-N 111.864 8.503 S29H-N 114.057 8.632 S30H-N 111.758 7.84 Q31H-N 121.686 7.385 Q31HE21-NE2 108.584 6.876 Q31HE22-NE2 108.584 7.512 T32H-N 110.118 8.275 K33H-N 120.068 7.418 A34H-N 128.412 8.652 N36H-N 114.604 8.461 N36HD21-ND2 116.815 6.787 N36HD22-ND2 116.815 8.418 V37H-N 122.749 8.401 L38H-N 127.355 8.614 K39H-N 121.057 7.744 G40H-N 108.549 9.081 N41H-N 116.858 9.194 N41HD21-ND2 112.091 6.798 N41HD22-ND2 112.091 7.572 K42H-N 122.525 9.008 L43H-N 123.591 8.646 Y44H-N 122.012 8.332 V45H-N 115.435 8.929 K46H-N 125.844 8.572 A47H-N 126.925 9.421 R48H-N 122.897 8.971 R48HE-NE 84.297 8.825 F49H-N 125.947 9.532 M50H-N 117.441 8.463 G51H-N 110.428 7.771 Y52H-N 115.879 8.714 T53H-N 117.451 7.561 K54H-N 124.003 8.531 L55H-N 121.974 8.099 T56H-N 122.441 7.98 V57H-N 125.097 9.314 I58H-N 123.69 7.076 T59H-N 124.92 8.981 G60H-N 113.283 8.952 K61H-N 119.343 8.221 D62H-N 116.584 8.664 G63H-N 104.314 8.081 K64H-N 118.98 7.218 N65H-N 116.561 8.599 N65HD21-ND2 112.296 7.114 N65HD22-ND2 112.296 8.307 L66H-N 125.667 9.476 L67H-N 113.902 7.632 Y68H-N 118.205 7.273 N69H-N 112.856 7.522 N69HD21-ND2 108.415 7.483 N69HD22-ND2 108.415 6.699 G70H-N 104.336 7.333 T71H-N 115.586 7.985 A72H-N 117.985 7.621 K73H-N 115.606 8.527 M74H-N 125.163 8.98 F75H-N 120.436 8.042 K76H-N 121.509 6.939 S77H-N 116.975 8.213 D78H-N 124.581 9.438 A79H-N 125.561 8.612 I80H-N 122.366 8.17 L81H-N 125.532 8.322 G82H-N 108.372 8.841 Q83H-N 120.869 8.607 Q83HE21-NE2 110.553 6.723 Q83HE22-NE2 110.553 7.374 N84H-N 115.867 8.693 N84HD21-ND2 110.988 6.758 N84HD22-ND2 110.988 7.427 K85H-N 108.635 8.056 V86H-N 116.401 6.867 V87H-N 125.522 8.34 I88H-N 120.175 8.441 G89H-N 108.028 7.237 W90H-N 115.373 9.234 W90HE1-NE1 128.514 10.069 D91H-N 121.465 9.127 K92H-N 120.982 9.374 Y93H-N 118.204 7.84 F94H-N 117.039 9.448 E95H-N 122.322 9.395 I96H-N 124.779 9.298 M98H-N 124.284 8.441 D99H-N 113.716 8.722 A100H-N 117.791 7.428 L101H-N 117.26 7.063 Q102H-N 118.762 9.006 Q102HE21-NE2 110.473 6.744 Q102HE22-NE2 110.473 7.298 D103H-N 115.635 7.915 N104H-N 116.584 7.93 N104HD21-ND2 108.835 6.577 N104HD22-ND2 108.835 7.165 S105H-N 113.212 7.787 I106H-N 116.188 8.896 Q107H-N 122.09 7.3 Q107HE21-NE2 111.941 7.013 Q107HE22-NE2 111.941 7.639 I108H-N 125.164 8.609 K109H-N 122.025 8.217 A110H-N 120.594 8.799 L111H-N 121.646 8.338 S112H-N 120.259 8.781 S113H-N 111.196 7.714 G114H-N 109.379 8.604 T115H-N 114.961 8.563 T116H-N 118.347 8.165 F117H-N 124.654 8.743 V118H-N 120.346 8.982 Y119H-N 122.7 8.596 S120H-N 115.1 8.896 Q121H-N 120.667 9.89 Q121HE21-NE2 114.161 7.925 Q121HE22-NE2 114.161 7.974 K122H-N 124.483 8.49 I123H-N 125.688 8.619 D124H-N 126.406 8.478 F125H-N 114.803 7.887 E126H-N 118.039 9.213 R127H-N 119.397 8.413 R127HE-NE 85.797 7.566 E128H-N 123.092 7.416