Assignment w1 w2 S2H-N 118.73 8.331 E3H-N 122.02 8.153 A5H-N 125.27 8.493 K6H-N 121.06 8.245 L7H-N 123.94 8.211 D8H-N 122.81 8.454 L9H-N 127.83 8.499 S10H-N 117.42 8.776 C11H-N 116.62 8.71 V12H-N 122.58 7.196 H13H-N 124.89 9.139 D15H-N 120.45 9.253 N16H-N 116.3 8.787 N16HD21-ND2 116.9 7.786 N16HD22-ND2 116.9 7.108 K17H-N 116.5 7.58 G18H-N 112.13 8.469 S19H-N 109.11 7.082 R20H-N 127.82 9.689 A21H-N 124.14 7.901 T23H-N 120.88 8.331 I24H-N 130.65 9.448 G25H-N 116.76 8.5 E26H-N 120.51 8.031 V28H-N 125.51 8.891 D30H-N 115.72 8.6 V31H-N 108.86 7.912 S32H-N 116.79 8.693 L33H-N 123.34 8.472 E34H-N 116.82 8.716 Q35H-N 118.39 7.616 Q35HE21-NE2 111.68 7.511 Q35HE22-NE2 111.68 6.888 C36H-N 121.25 8.101 A37H-N 120.95 7.54 A38H-N 120.25 7.762 Q39H-N 120.7 8.003 Q39HE21-NE2 110.46 7.068 Q39HE22-NE2 110.46 6.654 C40H-N 115.45 7.745 K41H-N 114.83 7.322 A42H-N 118.9 7.352 V43H-N 122.35 7.637 D44H-N 130.16 8.691 G45H-N 108.87 8.54 C46H-N 117.49 7.583 T47H-N 122.1 9.481 H48H-N 116.52 8.362 F49H-N 112.82 8.726 T50H-N 114.79 9.111 Y51H-N 130.67 8.999 N52H-N 126.95 8.034 N52HD21-ND2 109.36 7.248 N52HD22-ND2 109.36 6.616 D53H-N 124.86 9.001 D54H-N 115.95 8.541 S55H-N 112.01 7.569 K56H-N 118.98 8.068 M57H-N 113.39 6.814 C58H-N 122.38 8.915 H59H-N 129.77 9.129 V60H-N 124.79 8.77 K61H-N 124.44 8.573 E62H-N 115.89 7.706 G63H-N 99.995 7.984 K64H-N 118.8 8.227 D66H-N 124.05 7.389 L67H-N 122.23 8.642 Y68H-N 118.44 8.352 D69H-N 122.15 8.565 L70H-N 126.22 7.827 T71H-N 128.01 8.933 G72H-N 116.84 8.808 G73H-N 107.08 8.407 K74H-N 130.14 9.369 T75H-N 120.38 6.472 A76H-N 128.22 8.019 S77H-N 111.93 8.163 R78H-N 124.4 7.251 R78HE-NE 86.016 8.288 S79H-N 105.78 7.021 C80H-N 121.27 8.848 D81H-N 121.06 8.198 R82H-N 127.1 8.448 S83H-N 119.28 8.912 C84H-N 115.63 8.549 F85H-N 125.01 7.951 E86H-N 122.78 9.55 Q87H-N 125.76 8.731 Q87HE21-NE2 112.02 7.384 Q87HE22-NE2 112.02 6.888 H88H-N 117.11 8.942 V89H-N 117.37 7.01 S90H-N 120.36 8.645 Y91H-N 123.76 7.861 E92H-N 119.27 8.093 G93H-N 105.17 9.235 A94H-N 123.29 7.624 D96H-N 122.64 8.509 V97H-N 112.87 8.565 M98H-N 116.11 7.504 T99H-N 116.68 8.19 A100H-N 126.74 8.354 M101H-N 119.22 8.161 V102H-N 127.56 8.656 T103H-N 121.64 9.051 S104H-N 122.42 8.815 Q105H-N 122.55 8.422 Q105HE21-NE2 109.65 6.29 Q105HE22-NE2 109.65 6.897 S106H-N 122.42 8.285 A107H-N 124.22 8.684 D108H-N 116.81 7.735 C109H-N 113.14 7.427 Q110H-N 119.96 6.544 Q110HE21-NE2 113.58 5.337 Q110HE22-NE2 113.58 7.594 A111H-N 120.72 7.622 A112H-N 114.44 7.754 C113H-N 115.83 7.883 A114H-N 121.29 8.943 A115H-N 116.61 7.144 D116H-N 120.51 7.287 S118H-N 113.63 8.829 C119H-N 121.4 7.871 E120H-N 125.9 9.325 I121H-N 114.55 7.842 F122H-N 116.42 8.069 T123H-N 116.33 8.777 Y124H-N 128.17 9.995 N125H-N 127.17 8.16 N125HD21-ND2 113.87 7.688 N125HD22-ND2 113.87 6.796 E126H-N 124.08 8.428 H127H-N 118.9 8.507 D128H-N 116.33 7.829 Q129H-N 117.12 7.723 Q129HE21-NE2 111.65 7.61 Q129HE22-NE2 111.65 6.689 K130H-N 114.62 7.039 C131H-N 126.2 9.716 T132H-N 112.88 9.059 F133H-N 118.73 8.612 K134H-N 120.13 8.774 G135H-N 111.81 9.466 R136H-N 120.01 8.443 F138H-N 118.19 7.853 S139H-N 116.73 7.268 A140H-N 123.12 7.27 F141H-N 115.7 8.183 K142H-N 121.01 7.009 E143H-N 129.59 8.891 R144H-N 121.69 8.491 G145H-N 110.22 8.38 V146H-N 118.72 8.218 L147H-N 125.62 8.003 G148H-N 108.58 8.631 V149H-N 112.94 7.26 T150H-N 119.48 8.821 S151H-N 120.97 8.406 G152H-N 107.14 7.056 K154H-N 117.559 7.0 Q155H-N 112.41 6.92 Q155HE21-NE2 112.88 6.883 Q155HE22-NE2 112.88 7.546 F156H-N 120.23 7.004 C157H-N 121.44 10.863 D158H-N 115.78 8.951 E159H-N 119.36 7.489 G160H-N 107.22 7.955 G161H-N 108.19 8.006