Assignment w1 w2 A3H-N 124.643 8.386 K4H-N 120.203 8.3 N5H-N 119.229 8.32 N5HD21-ND2 112.665 6.901 N5HD22-ND2 112.665 7.593 Y6H-N 120.593 8.087 M7H-N 121.477 8.121 D8H-N 121.704 8.189 K9H-N 122.168 8.335 G10H-N 109.505 8.497 T11H-N 113.312 8.081 S12H-N 118.272 8.413 S13H-N 118.106 8.414 S14H-N 117.724 8.379 T15H-N 116.549 8.195 V16H-N 123.406 8.121 V17H-N 125.445 8.293 K18H-N 126.281 8.478 D19H-N 121.904 8.379 G20H-N 109.177 8.39 K21H-N 120.814 8.229 T22H-N 115.105 8.237 A25H-N 125.891 8.328 S26H-N 115.155 8.267 T27H-N 118.324 8.164 A29H-N 124.263 8.432 T30H-N 113.368 8.106 R31H-N 124.7 8.318 V33H-N 120.89 8.447 T34H-N 116.709 8.221 G35H-N 111.182 8.376 S36H-N 116.779 8.456 W37H-N 121.744 8.171 W37HE1-NE1 128.78 10.237 K38H-N 123.158 8.736 K39H-N 121.526 8.123 N40H-N 123.988 8.583 N40HD21-ND2 112.32 7.555 N40HD22-ND2 112.32 7.842 Q41H-N 116.529 8.856 Q41HE21-NE2 112.72 6.839 Q41HE22-NE2 112.72 7.281 Y42H-N 119.255 7.604 G43H-N 106.354 7.993 T44H-N 120.062 7.781 W45H-N 129.666 8.041 W45HE1-NE1 129.09 10.243 Y46H-N 122.938 10.329 K47H-N 118.986 8.923 E49H-N 125.285 7.771 N50H-N 122.328 8.148 N50HD21-ND2 112.61 6.886 N50HD22-ND2 112.61 7.659 A51H-N 126.527 7.085 T52H-N 112.831 8.036 F53H-N 127.883 9.714 V54H-N 127.284 8.583 N55H-N 125.723 8.97 N55HD21-ND2 108.415 6.649 N55HD22-ND2 108.415 6.746 G56H-N 114.389 8.36 N57H-N 115.511 8.149 N57HD21-ND2 111.96 6.866 N57HD22-ND2 111.96 7.557 Q58H-N 118.128 7.702 Q58HE21-NE2 112.65 6.825 Q58HE22-NE2 112.65 7.362 I60H-N 120.974 8.126 V61H-N 128.224 8.421 T62H-N 118.454 7.989 R63H-N 118.225 9.336 I64H-N 119.746 8.741 G65H-N 116.059 9.316 S66H-N 114.84 7.412 F68H-N 111.778 6.61 L69H-N 119.491 8.388 N70H-N 112.229 7.675 N70HD21-ND2 111.14 6.653 N70HD22-ND2 111.14 7.506 A71H-N 123.955 7.152 V73H-N 121.078 8.328 G74H-N 114.118 8.781 G75H-N 107.324 7.278 N76H-N 119.682 8.797 N76HD21-ND2 111.16 6.74 N76HD22-ND2 111.16 7.347 L77H-N 129.545 10.083 A79H-N 125.294 8.585 G80H-N 110.97 8.004 A81H-N 122.249 7.363 T82H-N 114.98 8.181 I83H-N 127.48 9.627 V84H-N 128.246 8.059 Y85H-N 126.862 8.84 D86H-N 115.086 8.843 E87H-N 124.208 8.121 V88H-N 121.754 8.822 C89H-N 118.234 9.404 I90H-N 122.085 9.773 Q91H-N 125.884 8.91 Q91HE21-NE2 116.01 6.518 Q91HE22-NE2 116.01 7.759 A92H-N 131.3 9.888 G93H-N 107.622 9.675 H94H-N 118.233 8.337 I95H-N 118.964 8.116 W96H-N 127.092 9.869 W96HE1-NE1 133.31 10.339 I97H-N 113.283 8.893 G98H-N 109.684 9.043 Y99H-N 117.809 8.434 N100H-N 117.139 8.844 N100HD21-ND2 115.05 7.506 N100HD22-ND2 115.05 7.099 A101H-N 126.218 8.87 Y102H-N 121.067 8.72 N103H-N 115.289 7.49 N103HD21-ND2 109.37 6.596 N103HD22-ND2 109.37 7.413 G104H-N 107.204 8.02 N105H-N 118.581 7.703 N105HD21-ND2 111.65 7.117 N105HD22-ND2 111.65 7.318 R106H-N 123.191 8.635 V107H-N 128.482 8.668 Y108H-N 119.055 8.944 C109H-N 124.377 9.675 V111H-N 109.293 8.382 R112H-N 110.825 6.735 T113H-N 111.002 8.898 C114H-N 119.522 7.936 Q115H-N 129.342 7.963 Q115HE21-NE2 112.25 6.851 Q115HE22-NE2 112.25 7.556 G116H-N 112.311 8.591 V117H-N 110.113 7.745 N120H-N 124.472 8.414 N120HD21-ND2 114.59 7.004 N120HD22-ND2 114.59 7.7 H121H-N 120.276 8.591 I122H-N 120.474 8.883 G124H-N 111.03 8.553 V125H-N 121.916 8.493 A126H-N 127.872 8.835 W127H-N 121.928 8.555 W127HE1-NE1 128.21 9.985 G128H-N 103.981 7.28 V129H-N 119.078 8.274 F130H-N 122.633 8.464 K131H-N 128.78 9.375