Assignment w1 w2 A4H-N 122.63 8.272 S5H-N 114.476 8.154 M6H-N 121.989 8.307 G7H-N 109.773 8.364 G9H-N 110.868 8.282 I11H-N 121.028 8.187 D12H-N 126.529 8.422 K14H-N 117.178 8.348 E15H-N 119.264 7.881 L16H-N 120.535 7.698 L17H-N 118.007 7.837 K18H-N 120.64 7.689 G19H-N 107.419 8.168 L20H-N 119.695 7.809 D21H-N 118.595 7.884 S22H-N 112.324 8.1 F23H-N 117.768 8.031 L24H-N 119.835 7.51 N25H-N 118.996 8.794 N25HD21-ND2 112.961 7.796 N25HD22-ND2 112.961 7.543 D27H-N 117.538 7.635 G28H-N 107.958 8.113 E29H-N 115.549 7.559 V30H-N 122.602 8.044 K31H-N 124.438 8.361 S32H-N 112.113 8.039 V33H-N 120.147 8.927 D34H-N 121.103 8.382 G35H-N 107.641 8.123 I36H-N 120.407 7.727 S37H-N 118.476 7.937 K38H-N 122.344 7.433 I39H-N 119.441 8.204 F40H-N 121.079 8.801 S41H-N 113.097 7.621 L42H-N 121.308 7.45 M43H-N 121.501 8.473 K44H-N 116.597 7.818 E45H-N 114.786 6.972 A46H-N 123.696 7.619 V50H-N 116.01 8.698 S51H-N 117.333 6.803 R52H-N 119.862 7.969 C53H-N 114.638 8.826 T54H-N 117.747 7.66 Y55H-N 119.125 7.828 L56H-N 117.034 8.175 N57H-N 116.51 7.983 N57HD21-ND2 112.165 7.429 N57HD22-ND2 112.165 6.782 I58H-N 119.333 7.616 L59H-N 121.305 7.613 L60H-N 117.787 8.192 Q61H-N 115.113 7.56 Q61HE21-NE2 111.888 7.463 Q61HE22-NE2 111.888 6.825 T62H-N 116.836 7.613 R63H-N 126.147 8.912 E66H-N 116.174 8.44 I67H-N 119.904 7.337 L68H-N 119.194 7.628 V69H-N 118.477 8.685 K70H-N 120.635 7.412 F71H-N 116.67 8.011 I72H-N 118.584 7.54 D73H-N 122.367 8.609 V74H-N 111.338 7.873 G75H-N 103.663 7.081 G76H-N 111.158 7.951 Y77H-N 120.628 7.559 K78H-N 122.836 7.535 L79H-N 120.612 7.784 L80H-N 115.937 7.865 N81H-N 118.471 7.548 N81HD21-ND2 113.06 7.807 N81HD22-ND2 113.06 7.542 N82H-N 121.09 7.784 N82HD21-ND2 112.624 7.007 N82HD22-ND2 112.624 7.69 W83H-N 120.744 8.923 W83HE1-NE1 130.613 10.552 L84H-N 125.163 9.325 T85H-N 116.085 8.328 Y86H-N 122.851 8.263 S87H-N 117.395 8.7 K88H-N 122.291 8.557 T89H-N 117.02 8.361 T90H-N 107.821 7.49 N91H-N 121.537 7.632 N91HD21-ND2 111.608 7.516 N91HD22-ND2 111.608 6.849 N92H-N 117.547 8.345 N92HD21-ND2 112.988 7.871 N92HD22-ND2 112.988 6.823 I93H-N 123.962 8.191 L95H-N 117.598 7.098 L96H-N 120.88 8.584 Q97H-N 117.779 8.937 Q97HE21-NE2 109.047 6.906 Q97HE22-NE2 109.047 6.498 Q98H-N 117.685 7.536 Q98HE21-NE2 110.151 6.771 Q98HE22-NE2 110.151 6.733 I99H-N 122.355 9.06 L100H-N 121.505 8.746 L101H-N 118.736 8.488 T102H-N 118.268 8.015 L103H-N 121.763 8.881 Q104H-N 117.096 8.245 Q104HE21-NE2 110.241 7.776 Q104HE22-NE2 110.241 6.364 H105H-N 116.887 7.494 L106H-N 117.007 7.561 L108H-N 122.722 7.692 T109H-N 117.022 10.142 V110H-N 117.919 8.582 D111H-N 117.628 7.273 H112H-N 119.506 7.027 L113H-N 116.045 7.788 K114H-N 115.855 7.469 Q115H-N 117.707 7.801 Q115HE21-NE2 109.791 7.293 Q115HE22-NE2 109.791 6.786 N116H-N 110.889 7.447 T118H-N 118.526 8.279 A119H-N 121.583 8.793 K120H-N 119.477 7.656 L121H-N 121.067 8.38 V122H-N 119.639 8.689 K123H-N 121.285 8.29 Q124H-N 120.715 8.312 Q124HE21-NE2 110.697 7.411 Q124HE22-NE2 110.697 6.813 L125H-N 121.152 8.2 S126H-N 113.311 8.106 K127H-N 117.798 7.192 S128H-N 111.618 8.145 S129H-N 116.866 8.025 E130H-N 126.613 9.062 D131H-N 121.539 8.001 E132H-N 128.544 8.989 E133H-N 119.187 8.199 L134H-N 124.146 8.904 R135H-N 118.216 8.388 K136H-N 119.448 8.062 L137H-N 121.776 7.85 A138H-N 119.456 8.746 S139H-N 112.149 8.156 V140H-N 124.889 7.869 L141H-N 121.428 7.73 V142H-N 115.284 8.041 S143H-N 114.876 7.671 D144H-N 124.658 8.524 W145H-N 121.963 8.976 W145HE1-NE1 128.362 10.661 M146H-N 119.205 8.864 A147H-N 121.509 7.723 V148H-N 119.897 7.782 I149H-N 120.327 8.215 R150H-N 119.233 8.232 S151H-N 114.464 7.921 Q152H-N 120.489 7.96 G153H-N 109.776 8.241 S154H-N 121.274 7.883