Assignment w1 w2 I2H-N 121.19 8.529 S3H-N 119.867 8.086 C4H-N 121.225 9.382 G5H-N 110.08 8.859 A6H-N 125.402 7.534 V7H-N 117.47 7.579 T8H-N 110.844 8.349 S9H-N 117.787 8.009 D10H-N 120.941 8.411 L11H-N 112.935 7.381 S12H-N 120.096 7.925 C14H-N 113.635 8.718 L15H-N 123.09 8.096 T16H-N 113.038 8.603 Y17H-N 122.926 7.402 L18H-N 119.91 8.809 T19H-N 105.416 7.576 G20H-N 106.69 7.603 G21H-N 110.658 8.401 G23H-N 106.389 8.3 S25H-N 120.531 8.779 Q27H-N 117.618 8.628 Q27HE21-NE2 111.925 7.622 Q27HE22-NE2 111.925 6.937 C28H-N 119.996 8.138 C29H-N 116.543 8.239 G30H-N 108.493 8.811 G31H-N 112.954 8.029 V32H-N 121.806 8.168 K33H-N 117.408 8.053 K34H-N 121.466 8.137 L35H-N 122.175 8.013 L36H-N 117.72 8.112 A37H-N 118.132 7.625 A38H-N 119.024 7.645 A39H-N 121.945 7.853 N40H-N 118.544 8.228 N40HD21-ND2 111.023 7.399 N40HD22-ND2 111.023 6.719 T41H-N 107.255 7.533 T42H-N 119.705 9.45 D44H-N 116.843 7.395 R45H-N 121.426 8.37 R45HH21-NH2 72.213 6.758 R45HH22-NH2 72.213 6.758 R45HE-NE 85.818 7.055 Q46H-N 119.047 8.292 Q46HE21-NE2 109.999 7.417 Q46HE22-NE2 109.999 6.576 A47H-N 121.571 8.13 A48H-N 120.762 8.673 C49H-N 117.199 8.248 N50H-N 119.623 8.277 N50HD21-ND2 114.471 7.313 N50HD22-ND2 114.471 7.212 C51H-N 118.677 8.59 L52H-N 121.308 8.474 K53H-N 118.54 8.383 S54H-N 113.673 7.9 A55H-N 124.157 8.116 A56H-N 119.402 8.223 G57H-N 102.523 7.686 S58H-N 113.522 7.637 I59H-N 122.793 7.423 T60H-N 121.428 8.203 K61H-N 119.514 8.292 L62H-N 120.414 7.463 N63H-N 126.586 9.083 N63HD21-ND2 113.023 7.567 N63HD22-ND2 113.023 6.917 T64H-N 119.413 8.649 N65H-N 121.99 8.179 N65HD21-ND2 113.229 7.613 N65HD22-ND2 113.229 7.011 N66H-N 122.319 8.354 N66HD21-ND2 108.603 6.996 N66HD22-ND2 108.603 6.885 A67H-N 122.082 8.065 A68H-N 115.278 7.797 A69H-N 117.975 7.672 L70H-N 118.334 7.614 G72H-N 106.035 8.5 K73H-N 121.513 8.386 C74H-N 114.682 7.89 G75H-N 109.691 7.955 V76H-N 116.064 8.169 N77H-N 122.512 8.473 N77HD21-ND2 112.406 7.501 N77HD22-ND2 112.406 6.784 I78H-N 121.212 8.111 Y80H-N 117.369 6.694 K81H-N 121.615 8.477 I82H-N 123.645 8.305 S83H-N 118.784 7.497 T84H-N 112.76 8.343 T85H-N 109.513 7.875 T86H-N 120.261 7.479 N87H-N 125.083 8.762 N87HD21-ND2 112.091 7.636 N87HD22-ND2 112.091 7.096 C88H-N 123.609 9.0 N89H-N 114.872 8.476 N89HD21-ND2 112.914 7.586 N89HD22-ND2 112.914 6.961 T90H-N 109.089 7.683 V91H-N 122.702 7.206 K92H-N 124.971 8.001 F93H-N 128.182 7.866