Assignment w1 w2 M3H-N 123.111 8.61 A4H-N 125.727 8.361 E5H-N 120.728 8.301 A6H-N 125.711 8.311 S7H-N 117.113 8.285 H9H-N 120.118 8.523 G11H-N 110.202 8.652 R12H-N 120.708 8.32 R12HE-NE 85.305 7.6 Y13H-N 120.662 8.662 F14H-N 121.892 9.458 C15H-N 127.548 7.847 H16H-N 126.18 9.23 C17H-N 123.256 8.998 C18H-N 124.783 9.696 S19H-N 114.378 8.038 V20H-N 111.467 6.545 E21H-N 122.406 8.336 I22H-N 117.814 8.611 V23H-N 124.372 8.163 R25H-N 119.474 8.559 R25HE-NE 84.394 7.303 L26H-N 127.793 8.417 D28H-N 121.55 8.62 Y29H-N 114.752 8.368 I30H-N 114.886 6.98 C31H-N 128.629 8.652 R33H-N 124.318 9.638 R33HE-NE 85.477 7.264 C34H-N 118.584 8.313 E35H-N 119.064 8.006 S36H-N 117.186 8.596 G37H-N 107.077 8.626 F38H-N 123.617 8.276 I39H-N 115.14 7.726 E40H-N 121.115 9.056 E41H-N 128.638 9.279 L42H-N 132.328 8.119 D10H-N 123.846 8.605 D11H-N 120.85 8.37 D12H-N 120.809 8.365 D13H-N 120.71 8.36 K14H-N 121.124 8.155 M15H-N 121.114 8.39 L16H-N 123.37 9.614 E17H-N 124.839 8.59 V18H-N 126.101 9.342 L19H-N 128.633 8.344 V20H-N 121.043 9.47 K21H-N 133.267 9.163 T22H-N 114.914 8.576 L23H-N 123.319 9.816 D24H-N 119.703 8.136 S25H-N 112.211 8.843 Q26H-N 121.456 7.947 Q26HE21-NE2 113.226 6.965 Q26HE22-NE2 113.226 7.702 T27H-N 118.286 8.62 R28H-N 127.963 8.963 R28HE-NE 86.268 7.428 T29H-N 118.295 8.382 F30H-N 126.111 9.469 I31H-N 124.468 8.557 V32H-N 121.419 9.167 G33H-N 109.031 8.456 A34H-N 122.698 8.332 Q35H-N 114.556 8.647 Q35HE21-NE2 113.539 7.71 Q35HE22-NE2 113.539 6.997 M36H-N 121.924 7.616 N37H-N 124.709 9.061 N37HD21-ND2 110.983 6.88 N37HD22-ND2 110.983 7.558 V38H-N 120.901 8.607 K39H-N 122.82 8.551 E40H-N 118.731 8.628 F41H-N 124.971 8.865 K42H-N 120.501 8.702 E43H-N 117.153 7.946 H44H-N 120.583 8.5 I45H-N 110.388 7.835 A46H-N 125.09 7.284 A47H-N 119.382 8.828 S48H-N 114.771 8.142 V49H-N 110.37 7.876 S50H-N 114.274 7.819 I51H-N 119.394 7.151 S53H-N 120.433 9.235 E54H-N 120.03 9.459 K55H-N 118.892 8.038 Q56H-N 118.128 7.043 Q56HE21-NE2 102.878 6.811 Q56HE22-NE2 102.878 6.198 R57H-N 124.692 8.429 L58H-N 125.76 8.479 I59H-N 122.437 9.601 Y60H-N 126.843 9.169 Q61H-N 128.563 9.341 Q61HE21-NE2 112.039 7.441 Q61HE22-NE2 112.039 6.973 G62H-N 103.566 8.995 R63H-N 120.572 7.847 R63HE-NE 86.272 7.546 V64H-N 123.867 8.702 L65H-N 130.237 9.028 Q66H-N 122.661 8.345 Q66HE21-NE2 115.1 7.148 Q66HE22-NE2 115.1 7.949 D67H-N 121.95 8.343 D68H-N 113.735 8.595 K69H-N 121.271 7.844 K70H-N 120.185 9.09 L71H-N 123.354 8.451 Q72H-N 115.569 9.121 Q72HE21-NE2 111.573 7.5 Q72HE22-NE2 111.573 6.944 E73H-N 118.81 7.669 Y74H-N 115.648 7.613 N75H-N 116.221 7.978 N75HD21-ND2 112.738 7.001 N75HD22-ND2 112.738 7.73 V76H-N 107.265 6.936 G77H-N 109.894 8.622 G78H-N 117.012 10.087 K79H-N 120.701 8.408 V80H-N 117.509 7.944 I81H-N 127.46 9.435 H82H-N 125.124 9.155 L83H-N 126.745 9.005 V84H-N 119.812 9.049 E85H-N 116.803 8.743 R86H-N 118.904 7.696 A87H-N 124.25 8.477 Q90H-N 120.569 8.507 Q90HE21-NE2 113.339 7.704 Q90HE22-NE2 113.339 6.971 T91H-N 115.58 8.152 H92H-N 121.621 8.585 L93H-N 125.808 8.502 S95H-N 116.686 8.558 G96H-N 112.056 8.578 A97H-N 124.456 8.276 S98H-N 116.029 8.513 S99H-N 118.633 8.471 G100H-N 117.693 8.173