Assignment w1 w2 D2H-N 120.9 8.657 I3H-N 121.698 8.31 R4H-N 124.408 8.44 D5H-N 120.703 8.193 Y6H-N 120.286 7.985 N7H-N 120.401 8.461 N7HD21-ND2 112.876 6.889 N7HD22-ND2 112.876 7.623 D8H-N 121.032 8.27 A9H-N 123.981 8.262 D10H-N 118.95 8.215 M11H-N 120.442 8.095 A12H-N 121.232 8.066 R13H-N 117.725 7.76 L14H-N 122.35 8.353 L15H-N 123.091 8.43 E16H-N 121.085 8.086 K20H-N 120.421 7.808 D21H-N 121.239 8.283 D22H-N 120.363 8.233 D23H-N 120.324 8.28 I24H-N 120.539 7.977 E25H-N 124.806 8.476 E26H-N 122.15 8.465 G27H-N 109.313 8.418 D28H-N 119.9 8.235 L29H-N 122.808 8.095 E31H-N 118.576 8.56 H32H-N 118.18 8.309 K33H-N 122.022 8.173 R34H-N 123.661 8.402 S36H-N 116.308 8.443 A37H-N 126.743 8.264 I39H-N 120.958 8.115 D40H-N 124.015 8.193 F41H-N 123.468 8.437 S42H-N 116.508 8.439 K43H-N 121.203 7.764 L44H-N 121.536 7.707 D45H-N 122.736 8.311 G47H-N 107.661 8.546 K48H-N 121.173 7.816 E50H-N 119.06 8.906 S51H-N 115.812 8.011 I52H-N 121.722 7.811 L53H-N 122.79 7.967 K54H-N 119.093 7.891 M55H-N 117.965 7.945 G59H-N 112.563 8.687 K60H-N 118.499 7.886 L62H-N 125.057 8.377 M63H-N 118.537 7.91 M64H-N 120.568 8.822 F65H-N 123.259 8.729 V66H-N 122.661 9.407 T67H-N 121.971 8.534 V68H-N 130.071 9.091 S69H-N 122.248 9.104 G70H-N 107.891 8.942 N71H-N 116.909 8.974 N71HD21-ND2 112.65 6.838 N71HD22-ND2 112.65 7.612 T73H-N 108.506 8.136 E74H-N 121.034 9.024 K75H-N 117.799 7.999 E76H-N 121.496 7.697 T77H-N 120.604 8.851 E78H-N 126.055 8.833 E79H-N 120.414 7.938 I80H-N 120.469 8.826 T81H-N 105.661 7.861 S82H-N 119.924 7.949 L83H-N 125.547 7.521 W84H-N 120.514 7.824 W84HE1-NE1 129.738 10.22 Q85H-N 118.529 8.762 Q85HE21-NE2 112.265 6.883 Q85HE22-NE2 112.265 7.512 G86H-N 107.716 8.652 S87H-N 119.399 8.428 L88H-N 123.129 8.16 F89H-N 121.924 8.873 N90H-N 119.626 8.274 N90HD21-ND2 111.971 7.668 N90HD22-ND2 111.971 6.919 A91H-N 122.186 7.359 N92H-N 110.233 7.684 N92HD21-ND2 112.408 6.66 N92HD22-ND2 112.408 7.267 Y93H-N 117.441 7.839 D94H-N 123.067 8.466 V95H-N 119.398 7.781 Q96H-N 122.017 8.584 Q96HE21-NE2 111.076 6.957 Q96HE22-NE2 111.076 7.417 R97H-N 123.056 8.476 F98H-N 122.336 8.892 I99H-N 126.044 9.22 V100H-N 118.937 8.227 G101H-N 110.722 8.134 S102H-N 114.536 8.784 D103H-N 114.786 7.898 R104H-N 116.602 7.066 A105H-N 123.009 9.165 I106H-N 120.274 9.329 F107H-N 126.039 9.219 M108H-N 123.596 9.363 L109H-N 128.215 9.265 R110H-N 118.945 7.954 D111H-N 115.072 7.941 G112H-N 110.436 8.842 S113H-N 115.796 8.411 Y114H-N 117.512 7.308 A115H-N 121.095 7.708 W116H-N 117.911 8.336 W116HE1-NE1 129.192 10.009 E117H-N 119.403 8.101 I118H-N 121.165 7.745 D120H-N 118.355 8.104 F121H-N 120.441 7.59 L122H-N 122.282 8.371 V123H-N 109.533 8.299 S124H-N 112.491 6.908 Q125H-N 120.959 7.623 Q125HE22-NE2 117.61 6.141 D126H-N 123.069 8.623 R127H-N 112.354 8.384 A129H-N 132.292 9.251 E130H-N 114.183 7.543 V131H-N 121.794 8.722 T132H-N 123.249 9.484 L133H-N 127.493 8.977 E134H-N 123.597 8.316 G135H-N 104.929 8.758 Q136H-N 112.749 8.078 Q136HE21-NE2 112.88 6.881 Q136HE22-NE2 112.88 7.514 G140H-N 107.435 7.731 K141H-N 126.642 8.15