Assignment w1 w2 R6H-N 124.063 8.437 R6HE-NE 84.46 7.274 K8H-N 122.691 8.529 M9H-N 122.777 8.584 T10H-N 112.194 8.289 E12H-N 114.422 8.542 Q13H-N 120.235 7.867 Q13HE21-NE2 112.042 6.897 Q13HE22-NE2 112.042 7.898 M14H-N 119.811 7.954 A15H-N 120.275 8.499 K16H-N 119.811 7.898 E17H-N 120.275 7.936 M18H-N 118.455 8.581 S19H-N 113.683 8.172 E20H-N 123.714 8.161 F21H-N 119.066 8.236 L22H-N 118.29 8.208 S23H-N 114.809 8.038 R24H-N 120.005 7.48 R24HE-NE 84.46 7.378 G25H-N 108.308 7.811 A27H-N 124.583 8.525 V28H-N 120.398 8.209 L29H-N 126.797 8.421 A30H-N 125.201 8.385 T31H-N 113.171 8.052 K32H-N 123.656 8.344 A33H-N 125.857 8.38 A34H-N 123.841 8.371 A35H-N 123.741 8.426 G36H-N 108.317 8.482 T37H-N 113.802 8.113 K38H-N 124.752 8.458 K39H-N 123.65 8.304 Y40H-N 119.03 8.267 D41H-N 120.397 8.704 L42H-N 126.912 8.912 S43H-N 116.1 7.997 K44H-N 116.187 8.378 W45H-N 123.131 7.909 W45HE1-NE1 128.862 10.239 K46H-N 120.589 9.147 Y47H-N 123.607 9.41 A48H-N 118.249 9.531 E49H-N 114.39 6.807 L50H-N 123.552 7.958 R51H-N 119.689 8.853 R51HE-NE 84.46 7.25 D52H-N 117.272 8.149 T53H-N 118.255 7.824 I54H-N 122.155 8.249 N55H-N 115.712 7.729 N55HD21-ND2 111.042 6.909 N55HD22-ND2 111.042 7.697 T56H-N 108.371 7.589 S57H-N 117.995 8.742 C58H-N 121.572 8.761 D59H-N 124.303 8.585 I60H-N 125.28 8.526 E61H-N 121.064 8.18 L62H-N 125.337 7.788 L63H-N 120.6 8.644 A64H-N 120.202 7.77 A65H-N 122.155 7.786 C66H-N 120.185 8.374 R67H-N 117.858 7.766 R67HE-NE 84.07 7.644 E68H-N 118.835 8.178 E69H-N 121.919 7.969 F70H-N 119.167 8.333 H71H-N 118.229 8.58 R72H-N 120.201 8.427 R72HE-NE 82.312 8.134 R73H-N 117.858 8.519 R73HE-NE 86.023 9.647 L74H-N 118.251 8.611 K75H-N 120.397 7.915 V76H-N 121.996 8.12 Y77H-N 122.504 9.005 H78H-N 118.444 9.104 A79H-N 123.025 7.979 W80H-N 123.098 8.521 W80HE1-NE1 130.538 10.447 K81H-N 120.332 8.823 S82H-N 112.785 7.628 K83H-N 120.711 7.471 N84H-N 117.077 7.535 N84HD21-ND2 113.972 6.619 N84HD22-ND2 113.972 6.526 K85H-N 120.604 7.77 K86H-N 122.545 8.278 R87H-N 128.08 8.054 R87HE-NE 84.851 7.223 I9H-N 123.481 8.118 E10H-N 124.244 8.517 N11H-N 119.262 8.489 N11HD21-ND2 112.854 7.11 N11HD22-ND2 112.854 7.829 D12H-N 121.105 8.363 E13H-N 122.48 8.539 A14H-N 120.208 7.635 F15H-N 115.997 8.115 A16H-N 121.706 8.0 I17H-N 117.373 7.362 L18H-N 117.471 7.465 D19H-N 117.495 8.918 G20H-N 102.155 7.441 G21H-N 107.481 7.326 A22H-N 124.199 8.15 G24H-N 114.19 7.749