Assignment w1 w2 Q2H-N 123.4 8.83 Q2HE21-NE2 111.551 7.515 Q2HE22-NE2 111.551 6.83 D3H-N 121.122 7.921 W4H-N 123.17 8.92 W4HE1-NE1 129.6 10.256 L5H-N 120.575 8.062 T6H-N 116.2 8.579 F7H-N 123.31 8.469 Q8H-N 117.294 8.268 Q8HE21-NE2 107.449 6.55 Q8HE22-NE2 107.449 4.671 K9H-N 117.567 7.506 K10H-N 113.739 7.946 H11H-N 107.449 7.76 I12H-N 121.943 8.268 T13H-N 120.302 8.581 N14H-N 122.763 8.249 N14HD21-ND2 111.278 7.49 N14HD22-ND2 111.278 6.753 T15H-N 113.465 7.911 R16H-N 125.224 8.444 R16HH11-NH1 73.06 6.83 R16HE-NE 83.291 7.022 D17H-N 121.943 7.869 V18H-N 120.575 6.513 D19H-N 126.318 8.488 C20H-N 120.849 7.819 D21H-N 117.567 8.649 N22H-N 114.559 7.124 N22HD21-ND2 115.106 8.254 N22HD22-ND2 115.106 6.787 I23H-N 118.661 7.721 L24H-N 120.849 8.396 S25H-N 109.09 7.007 T26H-N 112.098 7.413 N27H-N 119.208 8.987 N27HD21-ND2 112.098 7.54 N27HD22-ND2 112.098 6.894 L28H-N 117.841 7.305 F29H-N 112.098 6.948 H30H-N 114.559 8.977 C31H-N 109.363 9.07 K32H-N 117.02 6.841 D33H-N 121.669 8.586 K34H-N 114.559 7.466 N35H-N 116.2 8.009 N35HD21-ND2 114.286 3.61 N35HD22-ND2 114.286 6.17 T36H-N 123.037 7.955 F37H-N 125.498 9.241 I38H-N 122.76 9.373 Y39H-N 129.326 8.928 S40H-N 120.849 7.696 R41H-N 123.31 8.391 R41HH11-NH1 71.65 6.773 R41HE-NE 84.494 7.49 E43H-N 118.388 9.315 V45H-N 115.653 6.855 K46H-N 121.122 8.41 A47H-N 115.653 7.701 I48H-N 119.208 7.359 C49H-N 111.551 7.1 K50H-N 123.584 7.251 G51H-N 113.739 9.1 I52H-N 122.216 7.765 I53H-N 127.959 8.195 A54H-N 123.31 7.706 S55H-N 112.371 7.892 K56H-N 125.498 8.337 N57H-N 126.045 8.63 N57HD21-ND2 111.551 7.638 N57HD22-ND2 111.551 6.933 V58H-N 124.951 9.325 L59H-N 127.686 8.024 T60H-N 118.388 8.591 T61H-N 111.551 8.435 S62H-N 114.286 7.515 E63H-N 118.388 8.293 F64H-N 121.122 8.552 Y65H-N 119.482 9.66 L66H-N 126.045 9.276 S67H-N 120.849 9.354 D68H-N 125.771 9.364 C69H-N 120.029 8.425 N70H-N 121.396 8.679 N70HD21-ND2 111.278 7.383 N70HD22-ND2 111.278 6.982 V71H-N 128.233 8.894 T72H-N 116.2 8.043 S73H-N 111.551 8.048 R74H-N 123.584 7.691 R74HE-NE 84.795 7.06 C76H-N 119.208 8.562 K77H-N 116.2 6.992 Y78H-N 123.037 9.61 K79H-N 120.302 8.84 L80H-N 126.865 8.425 K81H-N 128.506 9.349 K82H-N 129.6 9.134 S83H-N 116.747 8.777 T84H-N 115.38 8.361 N85H-N 121.396 9.085 N85HD21-ND2 111.551 7.77 N85HD22-ND2 111.551 7.212 K86H-N 120.302 9.144 F87H-N 113.739 7.946 C88H-N 120.302 8.924 V89H-N 121.122 8.772 T90H-N 117.841 8.591 C91H-N 127.139 9.188 E92H-N 118.388 8.728 N93H-N 126.592 10.273 N93HD21-ND2 112.645 7.591 N93HD22-ND2 112.645 6.836 Q94H-N 105.261 8.811 Q94HE21-NE2 113.465 7.662 Q94HE22-NE2 113.465 6.933 A95H-N 118.935 7.559 V97H-N 108.816 8.474 H98H-N 117.841 7.31 F99H-N 132.061 9.877 V100H-N 129.053 8.029 G101H-N 102.8 6.601 V102H-N 118.661 8.645 G103H-N 115.38 8.669 S104H-N 111.824 7.242 C105H-N 123.857 8.351 D3H-N 120.214 8.104 W4H-N 123.346 8.741 W4HE1-NE1 129.986 10.303 L5H-N 120.887 8.069 T6H-N 116.876 8.588 F7H-N 123.73 8.516 Q8H-N 117.254 8.215 Q8HE21-NE2 107.729 6.555 K9H-N 117.686 7.438 K10H-N 114.892 7.922 H11H-N 107.603 7.745 I12H-N 121.339 8.127 T13H-N 120.531 8.622 N14H-N 123.179 8.256 N14HD21-ND2 111.354 7.491 N14HD22-ND2 111.354 6.765 T15H-N 113.806 7.951 D17H-N 122.0 7.855 V18H-N 120.986 6.52 D19H-N 126.865 8.476 C20H-N 120.875 7.826 D21H-N 118.35 8.651 N22H-N 114.637 7.134 N22HD21-ND2 115.892 8.428 N22HD22-ND2 115.892 6.791 I23H-N 119.061 7.762 L24H-N 121.319 8.429 S25H-N 109.174 7.014 T26H-N 112.296 7.439 L28H-N 117.439 7.279 F29H-N 112.358 6.984 H30H-N 114.949 8.847 C31H-N 109.724 9.094 K32H-N 117.185 6.995 D33H-N 121.71 8.537 K34H-N 114.898 7.487 N35H-N 116.93 8.05 N35HD21-ND2 114.363 6.133 N35HD22-ND2 114.363 3.6 T36H-N 123.657 7.864 F37H-N 124.247 9.136 I38H-N 122.94 9.436 Y39H-N 129.424 8.955 S40H-N 121.13 7.699 R41H-N 123.429 8.383 E43H-N 118.562 9.402 V45H-N 116.033 6.88 K46H-N 121.319 8.429 A47H-N 115.913 7.685 I48H-N 119.609 7.392 C49H-N 111.839 7.104 K50H-N 123.925 7.263 G51H-N 114.078 9.126 I52H-N 122.496 7.802 I53H-N 128.019 8.182 A54H-N 123.58 7.69 S55H-N 112.726 7.94 K56H-N 125.92 8.39 N57H-N 126.155 8.607 N57HD21-ND2 111.726 7.641 N57HD22-ND2 111.726 6.987 V58H-N 125.187 9.367 L59H-N 127.697 8.013 T60H-N 118.486 8.636 T61H-N 111.545 8.446 S62H-N 114.367 7.531 E63H-N 119.49 8.357 F64H-N 121.376 8.563 Y65H-N 119.594 9.644 L66H-N 126.18 9.264 S67H-N 121.111 9.399 D68H-N 126.067 9.366 C69H-N 120.311 8.461 N70H-N 121.654 8.722 N70HD21-ND2 111.579 7.387 N70HD22-ND2 111.579 7.02 V71H-N 128.316 8.926 T72H-N 116.459 8.081 R74H-N 123.988 7.738 C76H-N 119.718 8.587 K77H-N 116.39 7.009 Y78H-N 124.028 9.839 K79H-N 120.722 8.885 L80H-N 127.235 8.437 K81H-N 128.609 9.372 S83H-N 117.24 8.812 T84H-N 115.169 8.356 N85H-N 121.464 9.077 N85HD21-ND2 111.773 7.776 N85HD22-ND2 111.773 7.204 K86H-N 120.868 9.156 F87H-N 114.264 7.972 C88H-N 120.568 8.938 V89H-N 121.602 8.814 T90H-N 117.987 8.586 C91H-N 127.279 9.191 E92H-N 118.994 8.741 N93H-N 126.201 10.208 N93HD21-ND2 113.366 7.641 N93HD22-ND2 113.366 6.846 Q94H-N 105.381 8.81 Q94HE21-NE2 113.76 7.67 Q94HE22-NE2 113.76 6.95 A95H-N 119.36 7.6 V97H-N 108.987 8.508 H98H-N 118.141 7.319 V100H-N 129.317 8.077 G101H-N 103.07 6.68 V102H-N 118.509 8.659 G103H-N 115.514 8.704 S104H-N 112.196 7.266 C105H-N 124.461 8.335