Assignment w1 w2 I2H-N 122.637 8.067 L3H-N 127.924 8.154 K5H-N 118.478 8.369 A6H-N 124.542 8.655 E7H-N 113.43 9.191 N8H-N 115.817 7.923 N8HD21-ND2 110.079 7.015 N8HD22-ND2 110.079 7.721 V9H-N 120.758 7.531 D10H-N 125.624 8.461 S11H-N 108.535 7.496 I12H-N 118.24 8.938 C13H-N 128.109 9.249 I14H-N 130.224 9.532 D15H-N 127.172 9.131 F16H-N 120.74 8.952 T17H-N 114.091 9.272 N18H-N 117.195 8.04 N18HD21-ND2 107.56 6.322 N18HD22-ND2 107.56 7.355 S19H-N 109.771 8.068 I20H-N 121.777 7.562 Q21H-N 125.114 8.42 Q21HE21-NE2 114.185 6.594 Q21HE22-NE2 114.185 8.7 K22H-N 125.53 9.131 I23H-N 121.962 8.202 Y24H-N 127.274 9.538 D25H-N 120.136 8.871 D26H-N 117.393 8.231 S27H-N 116.997 8.915 E28H-N 120.709 8.486 S29H-N 117.632 8.367 I30H-N 121.164 8.076 Q31H-N 116.303 8.14 Q31HE21-NE2 111.14 7.285 Q31HE22-NE2 111.14 6.807 K32H-N 120.324 7.812 I33H-N 119.048 8.208 L34H-N 116.792 8.289 S35H-N 113.43 8.297 E36H-N 119.783 7.699 I37H-N 121.98 8.231 A38H-N 117.263 7.846 T39H-N 106.764 7.21 G40H-N 107.934 8.045 K41H-N 123.814 8.927 R42H-N 126.933 8.766 T43H-N 118.103 8.491 E44H-N 116.715 8.898 K45H-N 121.036 7.647 Q46H-N 121.939 8.519 Q46HE21-NE2 112.165 7.343 S47H-N 117.73 8.63 I48H-N 120.525 8.461 Q49H-N 117.389 6.956 Q49HE21-NE2 110.953 7.294 Q49HE22-NE2 110.953 6.65 D50H-N 115.553 8.171 Y51H-N 111.429 6.843 S53H-N 114.071 8.311 A54H-N 123.584 6.365 E55H-N 119.864 8.506 E56H-N 114.761 7.786 Y57H-N 117.366 7.823 G58H-N 109.114 8.711 T59H-N 114.83 8.791 I60H-N 126.252 9.343 N61H-N 125.28 9.079 N61HD21-ND2 115.511 6.818 N61HD22-ND2 115.511 7.937 I62H-N 124.61 9.434 E63H-N 134.083 9.079 N64H-N 122.728 9.077 N64HD21-ND2 111.079 7.156 N64HD22-ND2 111.079 6.959 N65H-N 121.354 9.716 N65HD21-ND2 112.561 7.736 N65HD22-ND2 112.561 6.841 G66H-N 105.595 9.197 G67H-N 108.798 7.768 M68H-N 118.771 8.373 T69H-N 123.288 8.845 T70H-N 125.625 8.57 M71H-N 122.763 9.062 F72H-N 116.718 8.88 Y73H-N 116.719 8.535 Y74H-N 113.637 8.45 E75H-N 120.898 9.101 E76H-N 124.267 9.337 N77H-N 126.584 9.66 N77HD21-ND2 112.236 7.625 N77HD22-ND2 112.236 6.91 G78H-N 104.64 9.125 K79H-N 119.535 7.512 Y80H-N 118.732 7.976 Y81H-N 116.197 8.692 I82H-N 116.822 9.206 E83H-N 127.545 9.777 C84H-N 127.124 9.194 Y86H-N 114.474 8.117 K87H-N 119.602 8.871 G88H-N 104.928 8.325 I89H-N 121.198 8.658 Y90H-N 128.842 10.12 E91H-N 125.36 9.349 I92H-N 121.356 8.61 E93H-N 117.347 8.481 N94H-N 113.266 7.316 N94HD21-ND2 112.686 7.412 N94HD22-ND2 112.686 6.841 N95H-N 114.285 7.066 N95HD21-ND2 112.231 7.134 N95HD22-ND2 112.231 7.505 F96H-N 128.617 8.139 E97H-N 109.793 7.513 D98H-N 115.325 7.486 M99H-N 117.035 7.309 I100H-N 116.769 6.295