Assignment w1 w2 I2H-N 121.197 8.482 S3H-N 119.666 8.032 C4H-N 120.587 9.355 G5H-N 109.61 8.794 A6H-N 125.193 7.523 V7H-N 117.191 7.5 T8H-N 109.48 8.383 S9H-N 117.014 7.911 D10H-N 120.447 8.238 L11H-N 112.904 7.235 S12H-N 120.631 7.948 C14H-N 113.959 8.643 L15H-N 123.575 8.043 T16H-N 112.719 8.672 Y17H-N 123.261 7.518 L18H-N 120.102 8.861 T19H-N 105.451 7.596 G20H-N 106.585 7.609 G21H-N 110.677 8.421 G23H-N 106.431 8.315 S25H-N 120.532 8.719 Q27H-N 117.748 8.646 Q27HE21-NE2 111.925 7.622 Q27HE22-NE2 111.925 6.937 C28H-N 120.065 8.17 C29H-N 116.661 8.264 G30H-N 108.796 8.833 G31H-N 113.319 8.035 V32H-N 121.882 8.131 K33H-N 117.381 8.043 K34H-N 121.838 8.225 L35H-N 122.084 8.024 L36H-N 117.365 7.976 A37H-N 118.522 7.737 A38H-N 119.036 7.683 A39H-N 121.689 7.885 N40H-N 119.56 8.22 N40HD21-ND2 111.023 7.399 N40HD22-ND2 111.023 6.719 T41H-N 105.754 7.315 T42H-N 120.33 9.646 D44H-N 116.414 7.466 R45H-N 121.253 8.418 R45HH21-NH2 72.213 6.758 R45HH22-NH2 72.213 6.758 R45HE-NE 85.818 7.055 Q46H-N 119.199 8.344 Q46HE21-NE2 109.999 7.417 Q46HE22-NE2 109.999 6.576 A47H-N 121.68 8.171 A48H-N 120.436 8.686 C49H-N 117.23 8.2 N50H-N 120.069 8.204 N50HD21-ND2 114.865 7.268 N50HD22-ND2 114.865 7.212 C51H-N 118.572 8.613 L52H-N 121.132 8.498 K53H-N 118.477 8.33 S54H-N 113.609 7.893 A55H-N 123.78 8.206 A56H-N 119.015 8.284 G57H-N 101.415 7.52 S58H-N 113.384 7.529 I59H-N 122.596 7.291 T60H-N 121.703 8.226 K61H-N 119.057 8.276 L62H-N 120.309 7.345 N63H-N 126.938 9.121 N63HD21-ND2 113.023 7.567 N63HD22-ND2 113.023 6.917 T64H-N 119.943 8.615 N65H-N 121.722 8.107 N65HD21-ND2 113.229 7.612 N65HD22-ND2 113.229 7.011 N66H-N 122.388 8.432 N66HD21-ND2 108.603 6.996 N66HD22-ND2 108.603 6.885 A67H-N 121.977 8.126 A68H-N 114.53 7.67 A69H-N 118.151 7.769 L70H-N 118.086 7.573 G72H-N 105.966 8.473 K73H-N 121.59 8.411 C74H-N 114.745 7.798 G75H-N 109.472 7.938 V76H-N 116.262 8.097 N77H-N 122.516 8.501 N77HD21-ND2 112.406 7.501 N77HD22-ND2 112.406 6.784 I78H-N 121.512 8.371 Y80H-N 116.989 6.644 K81H-N 121.539 8.606 I82H-N 127.174 8.94 S83H-N 118.784 7.497 T84H-N 116.928 8.631 T85H-N 109.653 7.981 T86H-N 121.59 7.418 N87H-N 127.449 8.938 N87HD21-ND2 112.091 7.636 N87HD22-ND2 112.091 7.096 C88H-N 125.416 9.042 N89H-N 114.833 8.472 N89HD21-ND2 112.914 7.586 N89HD22-ND2 112.914 6.961 T90H-N 108.519 7.644 V91H-N 122.749 7.091 K92H-N 123.507 7.877 F93H-N 128.187 8.149