Assignment w1 w2 H4H-N 125.506 8.489 K5H-N 124.514 8.472 C6H-N 128.563 9.165 E7H-N 132.438 9.7 D8H-N 119.728 8.348 C9H-N 115.054 7.905 G10H-N 113.426 8.072 F19H-N 122.914 7.912 K20H-N 117.574 8.249 R21H-N 117.022 7.438 H22H-N 118.837 7.546 I23H-N 111.694 7.605 R24H-N 118.44 6.697 I25H-N 117.012 7.653 H26H-N 117.035 6.914 T27H-N 111.784 7.578 G28H-N 110.039 8.017 E29H-N 119.56 7.842 K30H-N 121.107 8.045 F32H-N 118.004 7.675 S33H-N 118.145 8.495 C34H-N 127.056 8.948 R35H-N 130.957 9.454 E36H-N 121.239 9.114 C37H-N 118.587 8.362 S38H-N 113.959 7.8 K39H-N 125.288 8.179 A40H-N 126.361 7.743 F41H-N 116.898 8.776 S42H-N 114.712 9.025 D43H-N 120.332 7.454 A45H-N 122.735 7.858 A46H-N 123.103 7.709 C47H-N 118.694 6.98 K48H-N 119.076 7.729 A49H-N 120.055 7.702 H50H-N 117.102 7.437 E51H-N 123.39 8.918 K52H-N 116.027 7.116 T53H-N 109.1 7.596 H54H-N 118.589 6.907 L57H-N 121.286 7.978 K58H-N 121.083 7.935 Y60H-N 118.143 7.713 G61H-N 112.201 8.403 C62H-N 124.508 8.877 E63H-N 132.211 9.642 E64H-N 120.454 8.557 C65H-N 114.678 7.859 G66H-N 112.681 8.123 K67H-N 123.168 7.83 S68H-N 114.389 7.671 Y69H-N 117.346 8.415 R70H-N 119.104 9.262 L71H-N 113.229 6.747 I72H-N 126.292 8.44 S73H-N 115.339 7.969 L74H-N 121.032 6.398 L75H-N 122.14 7.051 N76H-N 117.934 8.455 N76HD21-ND2 110.148 6.589 N76HD22-ND2 110.148 7.306 L77H-N 120.426 7.292 H78H-N 119.946 7.448 K79H-N 116.51 8.417 K80H-N 118.121 7.095 R81H-N 116.756 7.628 H82H-N 116.234 7.142 S83H-N 115.019 7.741 G84H-N 110.547 8.227 E85H-N 120.002 7.943 A86H-N 125.783 8.203 R87H-N 119.254 7.71 Y88H-N 120.404 8.309 R89H-N 125.203 8.393 C90H-N 128.339 9.129 E91H-N 131.943 9.4 D92H-N 119.88 8.368 C93H-N 114.427 7.745 G94H-N 113.91 8.297 K95H-N 121.988 7.736 L96H-N 119.809 7.583 F97H-N 118.189 8.698 T98H-N 110.822 9.407 T99H-N 107.885 7.057 S100H-N 117.319 8.334 G101H-N 109.949 8.363 N102H-N 121.043 7.855 N102HD21-ND2 111.881 6.802 N102HD22-ND2 111.881 7.017 L103H-N 123.206 7.219 K104H-N 119.101 8.128 R105H-N 117.566 7.548 H106H-N 118.745 7.308 Q107H-N 115.205 8.028 Q107HE21-NE2 113.055 6.927 Q107HE22-NE2 113.055 7.496 L108H-N 118.996 6.922 V109H-N 115.351 7.81 H110H-N 117.469 7.12 S111H-N 114.75 7.586 G112H-N 116.862 7.867