Assignment w1 w2 V4H-N 121.926 8.342 C5H-N 129.812 8.024 N6H-N 123.956 8.602 T7H-N 116.539 8.047 C8H-N 126.712 9.33 E10H-N 121.691 8.532 K11H-N 115.161 8.788 W12H-N 120.531 8.516 W12HE1-NE1 132.22 10.436 I13H-N 120.543 9.845 N14H-N 125.58 9.093 N14HD21-ND2 109.173 7.206 N14HD22-ND2 109.173 6.442 F15H-N 124.348 8.365 K18H-N 119.017 8.072 C19H-N 118.935 8.964 Y20H-N 120.303 9.783 Y21H-N 123.492 8.464 F22H-N 127.584 7.608 G23H-N 112.291 7.781 K24H-N 121.035 7.629 G25H-N 114.144 8.056 Q28H-N 122.785 7.367 W29H-N 122.892 7.503 W29HE1-NE1 128.829 10.424 V30H-N 115.009 9.261 H31H-N 118.129 6.363 A32H-N 126.491 7.939 R33H-N 119.902 7.713 Y34H-N 118.432 7.878 A35H-N 122.561 7.807 C36H-N 113.641 7.815 D37H-N 123.507 7.956 D38H-N 120.45 8.55 M39H-N 116.678 7.417 E40H-N 112.846 8.054 G41H-N 105.764 8.042 Q42H-N 116.381 8.999 Q42HE21-NE2 112.1 7.889 Q42HE22-NE2 112.1 6.652 L43H-N 125.213 8.608 V44H-N 121.166 8.432 S45H-N 120.81 8.056 I46H-N 117.525 3.442 H47H-N 120.799 8.699 S48H-N 111.666 7.16 E50H-N 118.974 8.891 E51H-N 121.522 7.828 Q52H-N 117.935 7.733 Q52HE21-NE2 115.342 7.113 Q52HE22-NE2 115.342 6.485 D53H-N 119.67 8.55 F54H-N 120.149 7.315 L55H-N 120.63 8.01 T56H-N 116.266 8.986 K57H-N 118.155 7.285 H58H-N 114.568 6.885 A59H-N 122.91 7.326 S60H-N 114.419 8.677 G63H-N 109.345 7.028 S64H-N 114.041 8.511 W65H-N 124.399 8.355 W65HE1-NE1 129.288 10.316 I66H-N 110.081 8.146 G67H-N 109.907 9.56 L68H-N 125.34 7.357 R69H-N 120.221 7.595 N70H-N 121.924 8.783 L71H-N 127.174 7.78 K74H-N 117.149 7.833 G75H-N 108.566 8.589 E76H-N 119.042 7.439 F77H-N 123.557 8.704 I78H-N 123.655 8.498 W79H-N 129.862 8.674 W79HE1-NE1 129.021 10.135 V80H-N 117.915 9.058 D81H-N 118.152 7.766 G82H-N 109.736 8.778 S83H-N 117.751 8.537 H84H-N 118.296 8.457 V85H-N 121.572 9.206 D86H-N 128.8 9.089 Y87H-N 125.615 10.021 S88H-N 118.818 7.196 N89H-N 115.173 2.614 N89HD21-ND2 111.813 7.089 N89HD22-ND2 111.813 6.096 W90H-N 120.414 7.448 W90HE1-NE1 127.928 10.219 A91H-N 126.206 9.412 E94H-N 118.749 7.915 C104H-N 118.258 8.486 V105H-N 119.209 7.51 M106H-N 120.796 8.787 M107H-N 119.717 9.45 R108H-N 125.35 9.112 G111H-N 112.225 8.296 R112H-N 116.197 7.272 W113H-N 120.193 8.395 W113HE1-NE1 129.988 10.935 N114H-N 116.264 9.217 D115H-N 123.016 9.232 A116H-N 126.618 9.471 F117H-N 119.663 8.486 C118H-N 120.601 9.003 D119H-N 117.089 8.696 R120H-N 122.636 7.93 K121H-N 122.078 8.464 L122H-N 123.816 7.98 A124H-N 119.213 7.479 W125H-N 116.083 7.633 W125HE1-NE1 130.141 9.824 V126H-N 118.133 7.306 C127H-N 123.009 9.209 D128H-N 120.331 10.278 R129H-N 110.65 7.987 L130H-N 121.41 8.579 A131H-N 124.72 8.251 T132H-N 114.652 8.706 C133H-N 125.275 9.225 A137H-N 129.541 7.859 E139H-N 127.48 7.982 G140H-N 116.01 7.991 S141H-N 121.462 7.851 E143H-N 125.166 7.914