Assignment w1 w2 Q2H-N 123.504 8.347 Q2HE21-NE2 112.312 6.89 Q2HE22-NE2 112.312 7.809 Y3H-N 124.51 9.085 K4H-N 122.361 9.084 L5H-N 126.503 8.614 I6H-N 126.291 9.063 L7H-N 125.714 8.685 N8H-N 125.445 8.811 N8HD21-ND2 111.36 6.768 N8HD22-ND2 111.36 7.102 G9H-N 109.908 7.923 K10H-N 121.184 9.205 T11H-N 108.963 8.787 L12H-N 124.683 7.309 K13H-N 123.832 8.085 G14H-N 109.568 8.394 E15H-N 118.75 8.355 T16H-N 116.034 8.761 T17H-N 112.094 8.07 T18H-N 114.759 8.975 E19H-N 126.084 7.928 A20H-N 127.333 9.296 V21H-N 115.865 8.462 D22H-N 115.289 7.34 A23H-N 121.561 8.276 A24H-N 120.637 8.015 T25H-N 116.441 8.274 A26H-N 123.675 7.158 E27H-N 116.704 8.305 K28H-N 116.755 6.965 V29H-N 120.6 7.34 F30H-N 120.676 8.514 K31H-N 122.889 9.093 Q32H-N 119.649 7.451 Q32HE21-NE2 114.972 6.876 Q32HE22-NE2 114.972 7.906 Y33H-N 121.056 8.252 A34H-N 122.627 9.184 N35H-N 117.715 8.273 N35HD21-ND2 112.208 6.973 N35HD22-ND2 112.208 7.614 D36H-N 121.545 8.924 N37H-N 115.296 7.391 N37HD21-ND2 114.699 6.648 N37HD22-ND2 114.699 6.241 G38H-N 108.219 7.818 V39H-N 120.818 8.127 D40H-N 127.228 8.414 G41H-N 107.563 7.964 E42H-N 120.774 8.029 W43H-N 128.177 9.276 W43HE1-NE1 130.679 10.488 T44H-N 114.681 9.236 Y45H-N 121.033 8.54 D46H-N 128.577 7.645 D47H-N 124.962 8.542 A48H-N 119.932 8.302 T49H-N 103.268 7.01 K50H-N 123.067 7.863 T51H-N 111.246 7.382 F52H-N 130.83 10.366 T53H-N 117.037 9.088 V54H-N 123.372 8.208 T55H-N 123.434 8.336 E56H-N 128.752 8.135 G57H-N 112.718 8.796 S58H-N 122.462 9.026 M65H-N 121.181 8.196 D66H-N 121.827 8.322 V67H-N 119.568 8.048 E68H-N 123.091 8.411 G69H-N 108.621 8.284 M70H-N 118.353 7.752 T71H-N 117.776 8.866 S72H-N 122.227 8.982 L73H-N 123.004 9.335 K74H-N 123.44 9.306 V75H-N 129.625 9.241 D76H-N 126.159 9.428 N77H-N 113.788 8.792 N77HD21-ND2 111.757 6.807 N77HD22-ND2 111.757 8.229 L78H-N 115.249 7.68 T79H-N 111.713 8.431 Y80H-N 119.675 7.116 R81H-N 114.988 7.398 T82H-N 119.123 7.39 S83H-N 124.663 8.457 D85H-N 115.817 8.06 T86H-N 118.424 7.839 L87H-N 119.242 7.625 R88H-N 118.881 8.603 R89H-N 116.02 7.768 V90H-N 115.768 7.858 F91H-N 116.162 8.251 E92H-N 119.344 8.723 K93H-N 118.414 6.896 Y94H-N 115.228 7.672 G95H-N 104.816 7.377 R96H-N 115.749 7.973 V97H-N 129.345 8.877 G98H-N 115.216 9.047 D99H-N 117.198 7.387 V100H-N 121.493 7.81 Y101H-N 127.543 9.092 I102H-N 129.138 8.553 R104H-N 119.626 8.206 D105H-N 122.661 8.581 R106H-N 122.111 8.48 Y107H-N 118.128 8.448 T108H-N 111.175 8.927 K109H-N 115.276 7.973 E110H-N 119.003 7.884 S111H-N 116.35 8.555 R112H-N 121.102 8.161 G113H-N 107.609 8.426 F114H-N 113.2 6.991 A115H-N 118.209 8.9 F116H-N 116.218 9.056 V117H-N 123.139 8.887 R118H-N 125.469 8.684 F119H-N 123.512 9.228 H120H-N 119.783 7.757 D121H-N 119.858 9.242 K122H-N 127.488 8.739 R123H-N 118.684 8.596 D124H-N 119.689 7.091 A125H-N 119.696 6.879 E126H-N 117.557 8.064 D127H-N 120.849 8.084 A128H-N 122.493 8.152 M129H-N 118.603 8.345 D130H-N 117.093 7.749 A131H-N 117.777 7.351 M132H-N 112.363 8.146 D133H-N 120.159 7.914 G134H-N 117.92 8.724 A135H-N 123.877 7.958 V136H-N 118.631 8.14 L137H-N 129.568 8.934 D138H-N 129.722 9.485 G139H-N 100.618 8.039 R140H-N 120.254 7.53 E141H-N 121.179 8.393 L142H-N 128.043 9.383 R143H-N 121.45 7.712 V144H-N 127.015 9.547 Q145H-N 122.228 8.548 Q145HE21-NE2 112.129 6.843 Q145HE22-NE2 112.129 7.602 M146H-N 122.173 8.752 A147H-N 127.568 8.63 R148H-N 120.213 8.374 Y149H-N 121.803 8.26 G150H-N 110.852 8.102 R151H-N 121.457 7.98 D154H-N 119.906 8.341 S155H-N 115.254 8.127 H156H-N 120.979 8.331 H157H-N 119.686 7.104 S158H-N 122.894 8.026