Assignment w1 w2 R8H-N 119.788 7.896 Y9H-N 121.159 8.076 T11H-N 113.541 8.114 F14H-N 119.47 8.17 G15H-N 108.171 8.249 N16H-N 115.749 7.812 N16HD21-ND2 111.994 7.003 N16HD22-ND2 111.994 6.595 C17H-N 121.97 8.354 T18H-N 126.828 8.306 G19H-N 113.732 9.488 C20H-N 120.298 8.317 S21H-N 115.071 7.781 A22H-N 126.261 8.569 T23H-N 115.708 8.124 F24H-N 123.827 7.908 L27H-N 118.098 7.625 K28H-N 122.488 7.54 K29H-N 121.741 7.842 R30H-N 121.104 7.908 R31H-N 124.475 9.142 S32H-N 117.968 8.573 C33H-N 127.133 8.712 S34H-N 125.467 8.414 N35H-N 120.308 9.138 N35HD21-ND2 115.445 7.043 N35HD22-ND2 115.445 8.601 C36H-N 118.041 8.573 G37H-N 110.163 7.64 N38H-N 119.155 8.136 N38HD21-ND2 115.149 7.588 N38HD22-ND2 115.149 7.274 S39H-N 113.403 8.582 F40H-N 123.885 9.347 C41H-N 120.22 10.069 S42H-N 113.356 8.85 R43H-N 122.526 7.948 C44H-N 121.163 8.183 C45H-N 120.669 7.521 S46H-N 111.839 7.106 F47H-N 122.484 7.955 K48H-N 123.111 8.504 V49H-N 119.671 8.597 K51H-N 124.493 8.598 S52H-N 114.682 8.254 S53H-N 118.596 8.1 M54H-N 119.703 7.807 G55H-N 107.872 7.868 A56H-N 122.785 7.707 T57H-N 112.053 8.042 A58H-N 127.054 8.0 E60H-N 117.471 8.851 A61H-N 122.05 7.83 Q62H-N 116.223 7.785 Q62HE21-NE2 111.761 7.394 Q62HE22-NE2 111.761 6.759 R63H-N 118.208 7.879 E64H-N 121.244 7.844 T65H-N 114.387 8.212 V66H-N 116.267 8.498 F67H-N 117.973 8.319 V68H-N 115.892 9.281 C69H-N 119.62 8.47 A70H-N 119.778 8.326 S71H-N 114.698 8.161 C72H-N 125.365 8.809 N73H-N 117.675 8.723 N73HD21-ND2 114.158 6.982 N73HD22-ND2 114.158 6.492 Q74H-N 116.647 7.434 Q74HE21-NE2 111.698 7.362 Q74HE22-NE2 111.698 6.742 T75H-N 114.072 7.641 L76H-N 120.65 8.226 S77H-N 113.626 7.709 K78H-N 121.356 7.644 S79H-N 115.559 8.037 G80H-N 110.215 8.107 S82H-N 116.016 8.429 G84H-N 116.467 7.955