Assignment w1 w2 I2H-N 121.048 8.554 S3H-N 120.019 8.169 C4H-N 121.676 9.383 G5H-N 110.458 8.854 A6H-N 125.246 7.583 V7H-N 117.362 7.589 T8H-N 111.87 8.361 S9H-N 117.097 7.935 D10H-N 121.212 8.348 L11H-N 113.471 7.537 S12H-N 119.612 7.932 C14H-N 113.815 8.698 L15H-N 123.29 8.07 T16H-N 112.792 8.635 Y17H-N 123.053 7.447 L18H-N 119.868 8.84 T19H-N 105.451 7.596 G20H-N 106.906 7.636 G21H-N 110.677 8.421 G23H-N 106.431 8.315 S25H-N 120.604 8.791 Q27H-N 117.654 8.634 Q27HE21-NE2 111.925 7.622 Q27HE22-NE2 111.925 6.937 C28H-N 119.974 8.134 C29H-N 116.447 8.29 G30H-N 108.464 8.791 G31H-N 112.582 7.997 V32H-N 121.841 8.196 K33H-N 117.856 8.152 K34H-N 120.669 7.989 L35H-N 121.694 7.963 L36H-N 117.114 8.011 A37H-N 119.483 7.801 A38H-N 118.879 7.539 A39H-N 121.164 7.592 N40H-N 119.132 8.503 N40HD21-ND2 111.023 7.399 N40HD22-ND2 111.023 6.719 T41H-N 108.289 7.664 T42H-N 119.778 9.484 D44H-N 117.259 7.364 R45H-N 121.956 8.466 R45HH21-NH2 72.213 6.758 R45HH22-NH2 72.213 6.758 R45HE-NE 85.818 7.055 Q46H-N 119.547 8.29 Q46HE21-NE2 109.999 7.417 Q46HE22-NE2 109.999 6.576 A47H-N 121.635 8.165 A48H-N 121.217 8.64 C49H-N 117.104 8.217 N50H-N 120.298 8.284 N50HD21-ND2 114.471 7.313 N50HD22-ND2 114.471 7.212 C51H-N 119.226 8.614 L52H-N 122.092 8.443 K53H-N 120.172 8.411 S54H-N 113.898 7.923 A55H-N 124.42 8.182 A56H-N 119.193 8.338 G57H-N 102.382 7.704 S58H-N 114.235 7.679 I59H-N 122.385 7.347 T60H-N 122.044 8.231 K61H-N 119.851 8.304 L62H-N 120.301 7.366 N63H-N 126.712 9.092 N63HD21-ND2 113.023 7.567 N63HD22-ND2 113.023 6.917 T64H-N 119.943 8.615 N65H-N 122.305 8.206 N65HD21-ND2 113.229 7.613 N65HD22-ND2 113.229 7.011 N66H-N 122.723 8.462 N66HD21-ND2 108.603 6.996 N66HD22-ND2 108.603 6.885 A67H-N 122.006 8.171 A68H-N 116.755 7.76 A69H-N 118.226 7.708 L70H-N 117.821 7.596 G72H-N 106.127 8.446 K73H-N 121.507 8.411 C74H-N 114.653 7.861 G75H-N 109.784 7.952 V76H-N 116.165 8.128 N77H-N 122.004 8.433 N77HD21-ND2 112.406 7.501 N77HD22-ND2 112.406 6.784 I78H-N 121.212 8.111 Y80H-N 117.582 6.791 K81H-N 121.627 8.458 I82H-N 124.823 8.658 S83H-N 118.784 7.497 T84H-N 113.462 8.537 T85H-N 110.18 7.952 T86H-N 120.258 7.585 N87H-N 123.392 8.656 N87HD21-ND2 112.091 7.636 N87HD22-ND2 112.091 7.096 C88H-N 122.152 8.824 N89H-N 115.681 8.356 N89HD21-ND2 112.914 7.586 N89HD22-ND2 112.914 6.961 T90H-N 109.318 7.695 V91H-N 122.53 7.256 K92H-N 125.794 8.154 F93H-N 127.953 7.813