Assignment w1 w2 K4H-N 123.064 8.181 D5H-N 121.107 8.093 Y6H-N 120.058 7.836 K7H-N 121.593 8.296 T8H-N 116.33 8.106 R9H-N 123.784 8.798 D10H-N 122.622 8.536 V11H-N 120.614 8.676 T12H-N 120.705 8.615 D13H-N 120.33 8.742 D14H-N 121.764 7.91 V15H-N 119.893 8.407 K16H-N 120.526 8.881 S17H-N 113.645 7.632 I18H-N 124.622 8.072 V19H-N 119.516 8.719 R20H-N 118.001 8.388 F21H-N 120.439 7.92 V22H-N 119.817 8.554 Q23H-N 120.945 8.702 Q23HE21-NE2 109.892 7.332 Q23HE22-NE2 109.892 6.518 E24H-N 118.621 8.162 H25H-N 115.638 7.456 S26H-N 113.585 7.622 S27H-N 116.649 8.054 G30H-N 108.999 8.265 M31H-N 119.703 8.047 I34H-N 120.096 7.837 K35H-N 123.138 8.207 H36H-N 119.858 8.011 V37H-N 120.812 7.889 G38H-N 112.001 8.062 R42H-N 117.216 7.191 F43H-N 118.418 9.169 T44H-N 112.798 7.878 M45H-N 122.019 9.731 N46H-N 115.665 8.505 N46HD21-ND2 112.705 6.893 N46HD22-ND2 112.705 7.531 M47H-N 117.282 7.561 L48H-N 119.499 7.706 V49H-N 120.544 7.946 D50H-N 118.085 7.65 I51H-N 118.285 7.711 F52H-N 122.834 8.749 L53H-N 114.896 8.439 G54H-N 106.01 7.553 S55H-N 114.675 7.966 A58H-N 124.906 7.672 K59H-N 120.289 8.877 I60H-N 116.012 6.793 S62H-N 113.482 7.008 I64H-N 118.021 6.176 F65H-N 122.624 7.123 G66H-N 115.125 7.765 K67H-N 122.536 8.317 G68H-N 109.642 8.099 S69H-N 113.169 6.768 A70H-N 121.957 8.312 Y71H-N 120.043 8.115 S72H-N 114.462 8.588 H74H-N 116.026 8.513 N75H-N 116.559 7.869 A76H-N 124.303 9.091 E77H-N 117.259 8.707 R78H-N 117.556 7.851 L79H-N 122.886 8.262 F80H-N 116.592 7.848 K81H-N 117.535 8.4 K82H-N 121.994 8.009 L83H-N 116.189 7.989 I84H-N 120.559 7.59 L85H-N 125.18 8.326 D86H-N 117.054 8.588 K87H-N 111.77 7.758 I88H-N 119.672 8.051 L89H-N 116.102 7.06 D90H-N 117.058 8.495 E91H-N 118.774 8.958 D92H-N 123.93 8.951 L93H-N 124.663 8.313 Y94H-N 126.919 9.099 I95H-N 126.283 7.987 N96H-N 125.247 8.216 N96HD21-ND2 112.251 7.558 N96HD22-ND2 112.251 7.208 N98H-N 115.491 7.807 N98HD21-ND2 112.213 7.41 N98HD22-ND2 112.213 6.821 D99H-N 115.8 8.151 Q100H-N 117.709 7.695 Q100HE21-NE2 112.826 7.471 Q100HE22-NE2 112.826 6.812 A101H-N 126.865 8.427 I102H-N 125.35 8.886 A103H-N 128.447 8.147 Y104H-N 123.527 8.665 V105H-N 120.148 8.724 M106H-N 124.389 8.772 L107H-N 118.467 8.45 G108H-N 107.651 7.806 N109H-N 117.885 8.779 N109HD21-ND2 111.233 7.534 N109HD22-ND2 111.233 6.749 K110H-N 116.286 8.557 A111H-N 123.607 7.702 Q112H-N 115.007 8.605 Q112HE21-NE2 110.386 7.415 Q112HE22-NE2 110.386 6.826 T113H-N 114.357 7.442 V114H-N 119.643 7.352 L115H-N 120.042 7.827 N116H-N 115.112 8.212 G117H-N 105.7 7.434 N118H-N 115.864 7.87 L119H-N 121.603 7.398 K120H-N 128.172 8.388 V121H-N 123.904 8.594 D122H-N 126.273 8.207 F123H-N 120.199 8.916 M124H-N 128.106 8.04 E125H-N 126.392 8.451 T126H-N 113.322 8.388 E127H-N 121.388 8.398